In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 27 | 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) | 4.12 | 6.69 | -51.64 | 2 | 5 | 1 | 60 | 380.39 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.12 | 4.52 | -12.88 | 1 | 5 | 0 | 58 | 379.382 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.