In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 2.21 | 2.05 | -8.61 | 5 | 5 | 0 | 94 | 262.357 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.21 | 2.44 | -30.17 | 6 | 5 | 1 | 95 | 263.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.