In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 25 | 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) | 2.09 | 5.84 | -12.82 | 2 | 7 | 0 | 112 | 375.479 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 4.1 | -42.89 | 1 | 7 | -1 | 115 | 374.471 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.