In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 37 | 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) | 4.28 | 12.91 | -16.99 | 0 | 6 | 0 | 53 | 521.658 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.28 | 14.61 | -54.81 | 1 | 6 | 1 | 54 | 522.666 | 6 | ↓ |