In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 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) | 0.88 | 6.08 | -41.43 | 2 | 4 | 1 | 42 | 221.328 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.88 | 6.52 | -83.08 | 3 | 4 | 2 | 43 | 222.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.