In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 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) | 3.86 | 14.59 | -76.29 | 2 | 5 | 2 | 42 | 416.569 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 14.43 | -51.54 | 1 | 5 | 1 | 41 | 415.561 | 3 | ↓ |