In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2010 | 17 | 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) | 2.97 | 6.95 | -34.09 | 2 | 2 | 1 | 25 | 234.363 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 4.72 | -3.55 | 1 | 2 | 0 | 23 | 233.355 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.