In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 18 | 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) | -0.85 | -1.35 | -43.52 | 0 | 7 | -1 | 93 | 242.218 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.85 | -0.88 | -47.56 | 1 | 7 | 0 | 95 | 243.226 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.