In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 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) | 2.11 | 7.22 | -12.2 | 1 | 6 | 0 | 67 | 261.329 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 7.71 | -31.94 | 2 | 6 | 1 | 68 | 262.337 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.