In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 28 | 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) | 2.48 | 10.17 | -48.55 | 2 | 6 | 1 | 57 | 385.532 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 7.82 | -14.72 | 1 | 6 | 0 | 56 | 384.524 | 4 | ↓ |