In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 36 | 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) | 2.89 | 8.84 | -16.72 | 0 | 10 | 0 | 103 | 493.564 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 9.17 | -48.22 | 1 | 10 | 1 | 104 | 494.572 | 7 | ↓ |