In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 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) | 1.99 | 7.91 | -54.45 | 2 | 8 | 1 | 74 | 380.476 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 5.54 | -14.98 | 1 | 8 | 0 | 73 | 379.468 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 8.34 | -88.92 | 3 | 8 | 2 | 76 | 381.484 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.