In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 30 | 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) | 2.38 | 3.85 | -24.69 | 1 | 10 | 0 | 142 | 430.373 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 4.83 | -43.45 | 0 | 10 | -1 | 145 | 429.365 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 4.82 | -43.56 | 0 | 10 | -1 | 145 | 429.365 | 5 | ↓ |