In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 11 | 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) | 0.39 | 0.64 | -29.44 | 3 | 4 | 1 | 62 | 152.177 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 0.47 | -9 | 2 | 4 | 0 | 61 | 151.169 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 0.58 | -28.15 | 3 | 4 | 1 | 62 | 152.177 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.