In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2007 | 36 | No |
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) | 3.40 | 2.08 | -51.04 | 2 | 8 | 1 | 89 | 495.596 | 12 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 1.97 | -60.48 | 1 | 8 | 1 | 86 | 495.596 | 12 | ↓ |