In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2004 | 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) | 4.22 | 10.84 | -14.22 | 0 | 5 | 0 | 52 | 380.807 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 12.41 | -48.91 | 2 | 5 | 1 | 56 | 381.815 | 4 | ↓ |