In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 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) | 1.48 | 2.82 | -8.67 | 3 | 4 | 0 | 64 | 217.272 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.48 | 2.94 | -27.11 | 4 | 4 | 1 | 65 | 218.28 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.