In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2011 | 13 | 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) | 2.15 | 6.62 | -2.83 | 1 | 1 | 0 | 12 | 173.259 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 7.11 | -33.67 | 2 | 1 | 1 | 17 | 174.267 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.