In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2007 | 35 | 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) | 4.28 | 8.84 | -17.72 | 2 | 8 | 0 | 97 | 479.577 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.28 | 9.61 | -58.12 | 1 | 8 | -1 | 100 | 478.569 | 12 | ↓ |