In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 12 | 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) | 1.64 | 3.05 | -41.55 | 3 | 2 | 1 | 31 | 173.324 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 4.63 | -115.97 | 4 | 2 | 2 | 32 | 174.332 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 4.35 | -27.87 | 3 | 2 | 1 | 30 | 173.324 | 6 | ↓ |