In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 32 | 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) | 2.27 | 10.51 | -19.24 | 1 | 7 | 0 | 80 | 427.508 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 11.06 | -37.9 | 2 | 7 | 1 | 81 | 428.516 | 7 | ↓ |