| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2010 | 19 | Yes |
Popular Name: (2S)-3-amino-2-methyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one (2S)-3-amino-2-methyl-1-[4-(2-th…
| 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) | 0.67 | 5.99 | -99.48 | 4 | 4 | 2 | 52 | 283.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 4.1 | -49.99 | 3 | 4 | 1 | 51 | 282.433 | 4 | ↓ |
