In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 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) | 2.78 | 10.69 | -14.58 | 0 | 7 | 0 | 63 | 437.569 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 12.9 | -52.51 | 1 | 7 | 1 | 65 | 438.577 | 8 | ↓ |