In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2011 | 13 | Yes |
None
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) | -0.70 | 0.6 | -43.28 | 3 | 4 | 1 | 59 | 181.215 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 0.15 | -5.21 | 2 | 4 | 0 | 57 | 180.207 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.