In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 15 | 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) | 1.65 | 7.36 | -7.01 | 0 | 3 | 0 | 21 | 201.273 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 7.81 | -27.23 | 1 | 3 | 1 | 22 | 202.281 | 2 | ↓ |