In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 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) | 3.25 | 8.24 | -30.17 | 2 | 4 | 1 | 48 | 280.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 8.14 | -11.39 | 1 | 4 | 0 | 47 | 279.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.