In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 20 | 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) | 2.08 | 6.56 | -53.84 | 4 | 4 | 1 | 65 | 265.34 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 7.03 | -86.18 | 5 | 4 | 2 | 67 | 266.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.