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) | 4.08 | 12.25 | -14.96 | 1 | 6 | 0 | 67 | 432.568 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.08 | 12.62 | -34.06 | 2 | 6 | 1 | 68 | 433.576 | 5 | ↓ |