In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 38 | 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) | 6.18 | 15.62 | -10.92 | 0 | 5 | 0 | 59 | 498.582 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.18 | 13.11 | -10.46 | 0 | 5 | 0 | 59 | 498.582 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.18 | 15.53 | -33.11 | 1 | 5 | 1 | 61 | 499.59 | 4 | ↓ |