In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2006 | 33 | 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) | 2.55 | 2.04 | -48.66 | 2 | 8 | 1 | 93 | 455.531 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 1.86 | -56.93 | 1 | 8 | 1 | 90 | 455.531 | 11 | ↓ |