In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 34 | No |
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) | 2.16 | 10.96 | -68.27 | 1 | 8 | 0 | 96 | 467.566 | 12 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 9.67 | -53.44 | 2 | 8 | 1 | 93 | 468.574 | 12 | ↓ |