In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 30 | No |
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) | 2.16 | 9.09 | -27.2 | 1 | 10 | 0 | 139 | 443.466 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 8.98 | -112.48 | 3 | 10 | 2 | 142 | 445.482 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.