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) | 0.40 | 2.38 | -48.35 | 4 | 4 | 1 | 63 | 234.323 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.40 | 2.63 | -113.57 | 5 | 4 | 2 | 65 | 235.331 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.40 | 1.15 | -8.22 | 3 | 4 | 0 | 58 | 233.315 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.