In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2009 | 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) | 6.69 | 15.03 | -49.47 | 2 | 3 | 1 | 43 | 428.474 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.69 | 13.82 | -7.98 | 1 | 3 | 0 | 38 | 427.466 | 10 | ↓ |