In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 27 | 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) | 3.12 | 9.98 | -42.24 | 1 | 4 | 1 | 38 | 362.497 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 10.44 | -111.6 | 2 | 4 | 2 | 39 | 363.505 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.