In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 16 | Yes |
Popular Name: (4S)-4-(m-tolyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4S)-4-(m-tolyl)-4,5,6,7-tetrahy…
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) | 2.21 | 6.53 | -42.34 | 3 | 3 | 1 | 45 | 214.292 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 5.2 | -7.99 | 2 | 3 | 0 | 41 | 213.284 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.21 | 6.99 | -102 | 4 | 3 | 2 | 47 | 215.3 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.