In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 25 | 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) | 5.44 | 12.84 | -10.69 | 0 | 3 | 0 | 27 | 334.463 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.44 | 13.29 | -28.58 | 1 | 3 | 1 | 28 | 335.471 | 6 | ↓ |