| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2008 | 29 | Yes |
Popular Name: (2S)-N-(m-tolyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propanamide (2S)-N-(m-tolyl)-2-[4-[5-(triflu…
| 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) | 3.76 | 9.69 | -41.33 | 2 | 5 | 1 | 50 | 407.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 7.89 | -10.53 | 1 | 5 | 0 | 48 | 406.452 | 5 | ↓ |
