In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2010 | 19 | 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) | 1.82 | 6.84 | -47.7 | 2 | 5 | 1 | 50 | 263.365 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 4.47 | -13.21 | 1 | 5 | 0 | 48 | 262.357 | 4 | ↓ |