In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 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) | 1.06 | 3.72 | -7.42 | 1 | 3 | 0 | 38 | 149.197 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 3.9 | -28.27 | 2 | 3 | 1 | 39 | 150.205 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 3.88 | -31.31 | 2 | 3 | 1 | 39 | 150.205 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.