In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 31 | 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) | 3.70 | 12.29 | -46.97 | 1 | 6 | 1 | 44 | 419.549 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 9.8 | -10.14 | 0 | 6 | 0 | 43 | 418.541 | 7 | ↓ |