In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 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) | 1.41 | 8.23 | -39.8 | 1 | 4 | 0 | 59 | 202.213 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 7.69 | -42.85 | 0 | 4 | -1 | 57 | 201.205 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.