| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 20 | Yes |
Popular Name: (2S)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethanamine (2S)-2-phenyl-2-(6,7,8,9-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) | 1.96 | 7.75 | -41.39 | 3 | 4 | 1 | 58 | 289.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 7.4 | -9.23 | 2 | 4 | 0 | 57 | 288.42 | 4 | ↓ |
