In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 18 | 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) | 0.69 | -0.04 | -10.64 | 2 | 7 | 0 | 96 | 240.226 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.69 | -0.13 | -38.09 | 1 | 7 | -1 | 95 | 239.218 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.