In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 22nd, 2009 | 24 | 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) | 1.07 | 9.53 | -54.87 | 1 | 6 | 1 | 60 | 349.48 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 7.1 | -18.82 | 0 | 6 | 0 | 58 | 348.472 | 4 | ↓ |