In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 19 | 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) | 2.84 | 7.16 | -51.13 | 3 | 3 | 1 | 45 | 252.341 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 6.82 | -8.21 | 2 | 3 | 0 | 44 | 251.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.