In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 20 | Yes |
Popular Name: (4S,6S)-4-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic (4S,6S)-4-(3,4-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 | 7.57 | -38.88 | 3 | 5 | 0 | 85 | 312.156 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 6.4 | -45.96 | 2 | 5 | -1 | 81 | 311.148 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 6.39 | -51.21 | 2 | 5 | -1 | 81 | 311.148 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.84 | 7.56 | -31.86 | 3 | 5 | 0 | 85 | 312.156 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 8.03 | -81.44 | 4 | 5 | 1 | 87 | 313.164 | 2 | ↓ |