In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | No |
None
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) | 5.17 | 10.03 | -10.91 | 0 | 6 | 0 | 55 | 496.607 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.17 | 12.9 | -53.8 | 1 | 6 | 1 | 56 | 497.615 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.17 | 12.3 | -48.27 | 1 | 6 | 1 | 56 | 497.615 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.17 | 15.17 | -127.29 | 2 | 6 | 2 | 58 | 498.623 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.