In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 30 | Yes |
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) | 3.92 | 12.57 | -46 | 4 | 7 | 1 | 100 | 395.446 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 12.12 | -22.49 | 3 | 7 | 0 | 101 | 394.438 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 12.63 | -43.96 | 4 | 7 | 1 | 103 | 395.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.