In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 22 | Yes |
None
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) | 2.25 | 8.53 | -46.97 | 2 | 4 | 1 | 50 | 310.299 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 8.06 | -12.24 | 1 | 4 | 0 | 49 | 309.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.