In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 12 | 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) | 0.70 | 5.14 | -39 | 3 | 3 | 1 | 45 | 168.264 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 5.62 | -84.26 | 4 | 3 | 2 | 47 | 169.272 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 5.11 | -42.75 | 3 | 3 | 1 | 45 | 168.264 | 6 | ↓ |