In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 33 | 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) | 3.89 | 12.46 | -10.88 | 0 | 6 | 0 | 54 | 445.611 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 14.73 | -56.43 | 1 | 6 | 1 | 55 | 446.619 | 7 | ↓ |