In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 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) | 4.18 | 9.67 | -61.68 | 1 | 7 | -1 | 99 | 486.544 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.60 | -1.5 | -21.87 | 1 | 7 | 0 | 93 | 487.552 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.63 | 9.29 | -20.29 | 2 | 7 | 0 | 96 | 487.552 | 9 | ↓ |