| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (3S)-3-amino-4-oxo-4-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]butanamide (3S)-3-amino-4-oxo-4-[4-(2-thien…
| 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) | 0.21 | 2.35 | -99.7 | 6 | 6 | 2 | 95 | 312.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 0.14 | -12.75 | 4 | 6 | 0 | 93 | 310.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 0.48 | -40.56 | 5 | 6 | 1 | 94 | 311.431 | 5 | ↓ |
