In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 29 | Yes |
Popular Name: (2S)-N-(4-acetylphenyl)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanamide (2S)-N-(4-acetylphenyl)-2-(5,7-d…
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) | 4.11 | 12 | -41.85 | 2 | 4 | 1 | 51 | 385.487 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 9.97 | -12.17 | 1 | 4 | 0 | 49 | 384.479 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.