In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 17 | 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) | 3.44 | 6.24 | -40.13 | 4 | 2 | 1 | 43 | 233.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 6.49 | -129.14 | 5 | 2 | 2 | 44 | 234.387 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.