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) | 1.31 | 1.31 | -42.43 | 3 | 3 | 1 | 46 | 194.254 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.31 | -0.1 | -4.39 | 2 | 3 | 0 | 41 | 193.246 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.