In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 32 | 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) | 0.04 | 0.17 | -13.41 | 1 | 9 | 0 | 84 | 451.564 | 11 | ↓ |
Mid Mid (pH 6-8) | 0.04 | 2.48 | -51.39 | 2 | 9 | 1 | 85 | 452.572 | 11 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | 2.52 | -57.26 | 2 | 9 | 1 | 85 | 452.572 | 11 | ↓ |