In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 24 | 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) | 3.81 | 9.57 | -10.7 | 0 | 5 | 0 | 48 | 325.46 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 11.94 | -48.91 | 1 | 5 | 1 | 49 | 326.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.