In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 23 | 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) | 0.61 | -1.2 | -17.15 | 1 | 8 | 0 | 94 | 327.373 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.61 | -1.01 | -33.66 | 2 | 8 | 1 | 95 | 328.381 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.