In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | No |
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) | 2.09 | 12.01 | -15.08 | 0 | 6 | 0 | 67 | 272.308 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 12.49 | -43.23 | 1 | 6 | 1 | 68 | 273.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.