In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2006 | 28 | Yes |
None
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) | 2.93 | 7.21 | -50.21 | 3 | 5 | -1 | 101 | 387.496 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 5.23 | -11.54 | 4 | 5 | 0 | 98 | 388.504 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.