In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 27 | No |
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) | 3.64 | 2.89 | -20.12 | 3 | 7 | 0 | 101 | 386.429 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 2.58 | -45.88 | 2 | 7 | -1 | 103 | 385.421 | 5 | ↓ |