In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 16 | 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) | 2.42 | 6.11 | -7.6 | 2 | 3 | 0 | 52 | 213.284 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 6.45 | -26.57 | 3 | 3 | 1 | 53 | 214.292 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.