In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 6.81 | 15.16 | -10.04 | 1 | 5 | 0 | 56 | 463.666 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.81 | 15.41 | -33.99 | 2 | 5 | 1 | 57 | 464.674 | 12 | ↓ |