In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 20 | 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) | 1.95 | 3.73 | -27.81 | 3 | 4 | 1 | 49 | 287.468 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 4.32 | -87.24 | 4 | 4 | 2 | 51 | 288.476 | 9 | ↓ |