In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2014 | 23 | 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) | 0.97 | 7.11 | -38.43 | 2 | 6 | 1 | 67 | 322.429 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 6.71 | -18.52 | 1 | 6 | 0 | 65 | 321.421 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.