In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2009 | 29 | Yes |
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) | 4.37 | 11.16 | -49.31 | 2 | 4 | 1 | 37 | 392.567 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 10.39 | -42.54 | 2 | 4 | 1 | 37 | 392.567 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 8.79 | -10.29 | 1 | 4 | 0 | 36 | 391.559 | 5 | ↓ |