In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 16 | 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) | 1.50 | 8.24 | -32.71 | 1 | 4 | 1 | 45 | 211.248 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 7.78 | -8.81 | 0 | 4 | 0 | 44 | 210.24 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.