In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 28 | 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) | 0.14 | 8.11 | -60.08 | 1 | 9 | -1 | 120 | 379.4 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.14 | 8.63 | -69.12 | 2 | 9 | 0 | 121 | 380.408 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.14 | 9.09 | -94.83 | 3 | 9 | 1 | 122 | 381.416 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.