In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | 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) | 3.78 | 11.06 | -54.66 | 0 | 5 | -1 | 67 | 309.345 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 11.36 | -59.85 | 1 | 5 | 0 | 68 | 310.353 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.