In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 34 | 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) | 5.78 | 12.55 | -48.17 | 1 | 5 | 0 | 47 | 475.634 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.78 | 12.45 | -9.35 | 0 | 5 | 0 | 46 | 474.626 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.78 | 15.41 | -108.1 | 2 | 5 | 0 | 48 | 476.642 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.