In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2013 | 25 | 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) | 3.65 | 7.97 | -4.69 | 1 | 3 | 0 | 33 | 339.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 9.61 | -39.56 | 2 | 3 | 1 | 34 | 340.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.