In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 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) | 2.62 | 7.81 | -32.94 | 2 | 2 | 1 | 16 | 233.379 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 6.55 | -41.34 | 2 | 2 | 1 | 20 | 233.379 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.