In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 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) | 3.74 | 7.73 | -15.31 | 1 | 6 | 0 | 59 | 428.842 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 8.12 | -33.13 | 2 | 6 | 1 | 64 | 429.85 | 4 | ↓ |