In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2008 | 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) | 2.82 | 7.6 | -63.28 | 0 | 8 | -1 | 97 | 454.499 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.95 | -16.25 | 0 | 8 | 0 | 91 | 455.507 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 7.59 | -15.55 | 1 | 8 | 0 | 95 | 455.507 | 11 | ↓ |