In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 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) | 2.79 | 5.85 | -35.57 | 3 | 3 | 1 | 37 | 263.405 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 4.88 | -43.57 | 3 | 3 | 1 | 40 | 263.405 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.