In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | 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) | 1.85 | 3.71 | -41.23 | 3 | 3 | 1 | 40 | 253.41 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 5.96 | -118.76 | 4 | 3 | 2 | 41 | 254.418 | 1 | ↓ |