In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 22 | 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) | 2.64 | 7.35 | -97.2 | 5 | 4 | 2 | 61 | 307.482 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 6.95 | -41.85 | 4 | 4 | 1 | 60 | 306.474 | 11 | ↓ |