In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 16 | 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) | -2.03 | -2.33 | -58.93 | 4 | 6 | 1 | 78 | 227.288 | 1 | ↓ |
Mid Mid (pH 6-8) | -2.03 | -3.68 | -12.73 | 3 | 6 | 0 | 73 | 226.28 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.