In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 39 | 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) | 5.52 | 14.19 | -12.86 | 0 | 6 | 0 | 53 | 523.677 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.52 | 16.43 | -51.46 | 1 | 6 | 1 | 54 | 524.685 | 7 | ↓ |