In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 22 | 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) | 4.00 | 9.85 | -12.41 | 1 | 4 | 0 | 46 | 297.402 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.00 | 10.29 | -29.91 | 2 | 4 | 1 | 48 | 298.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.