In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | 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) | 0.98 | 2.39 | -59.43 | 4 | 4 | 1 | 70 | 243.286 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 2 | -15.38 | 3 | 4 | 0 | 68 | 242.278 | 3 | ↓ |