In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 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) | 3.93 | 7.1 | -3.65 | 1 | 2 | 0 | 25 | 222.307 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.93 | 7.51 | -28.43 | 2 | 2 | 1 | 26 | 223.315 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.