In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 28th, 2007 | 19 | 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) | 3.05 | 7.21 | -14.17 | 1 | 3 | 0 | 57 | 254.333 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 5.56 | -47.6 | 0 | 3 | -1 | 60 | 253.325 | 1 | ↓ |