In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 20 | 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) | 4.09 | 7.58 | -10.14 | 2 | 3 | 0 | 52 | 260.296 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 8.05 | -39.82 | 3 | 3 | 1 | 53 | 261.304 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.