In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 13 | 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) | 0.99 | 4.47 | -98.58 | 5 | 3 | 2 | 58 | 181.283 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 3.96 | -50.74 | 4 | 3 | 1 | 56 | 180.275 | 2 | ↓ |