In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 26 | 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) | 2.01 | 5.17 | -18.41 | 3 | 6 | 0 | 84 | 374.872 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 7.49 | -40.11 | 4 | 6 | 1 | 85 | 375.88 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.