In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 15 | 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) | 2.62 | 8.59 | -51.24 | 0 | 2 | -1 | 40 | 201.245 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 6.56 | -5.51 | 1 | 2 | 0 | 37 | 202.253 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.