In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 19 | 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) | -0.07 | 1.63 | -39.11 | 1 | 7 | -1 | 95 | 253.245 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.07 | 1.78 | -13.9 | 2 | 7 | 0 | 96 | 254.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.