In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2006 | 20 | Yes |
Popular Name: 2-(2,4-dichlorophenyl)-3,7,9-triazabicyclo[4.3.0]nona-8,10-diene-4-carboxylic 2-(2,4-dichlorophenyl)-3,7,9-tri…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.84 | 7.59 | -28.63 | 3 | 5 | 0 | 85 | 312.156 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 6.41 | -44.93 | 2 | 5 | -1 | 81 | 311.148 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 8.09 | -71.33 | 4 | 5 | 1 | 87 | 313.164 | 2 | ↓ |
Popular Name: (4S,6R)-4-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic (4S,6R)-4-(2,4-dichlorophenyl)-4…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.84 | 7.03 | -31.78 | 3 | 5 | 0 | 85 | 312.156 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 5.78 | -49.41 | 2 | 5 | -1 | 81 | 311.148 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 6.25 | -59.9 | 3 | 5 | 0 | 82 | 312.156 | 2 | ↓ |
Popular Name: (4R,6S)-4-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic (4R,6S)-4-(2,4-dichlorophenyl)-4…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.84 | 7.29 | -39.99 | 3 | 5 | 0 | 85 | 312.156 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 6.41 | -46.98 | 2 | 5 | -1 | 81 | 311.148 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 6.87 | -42.26 | 3 | 5 | 0 | 82 | 312.156 | 2 | ↓ |