In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 36 | 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) | 0.43 | 8.9 | -56.23 | 3 | 10 | -1 | 153 | 493.54 | 10 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 7.78 | -101.2 | 2 | 10 | -2 | 156 | 492.532 | 10 | ↓ |