In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 14 | 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) | 2.39 | 5.36 | -38.06 | 2 | 2 | 1 | 26 | 192.282 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 4.05 | -2.94 | 1 | 2 | 0 | 21 | 191.274 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.