In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 21 | 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) | 2.92 | 7.25 | -9.1 | 1 | 3 | 0 | 42 | 279.339 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.92 | 7.68 | -34.83 | 2 | 3 | 1 | 44 | 280.347 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.