In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 14 | 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) | 1.29 | 0.83 | -4.8 | 1 | 3 | 0 | 33 | 193.246 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 3.25 | -39.75 | 2 | 3 | 1 | 34 | 194.254 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.