In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 29 | 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) | 0.60 | 3.07 | -16.37 | 2 | 9 | 0 | 122 | 424.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 4.01 | -57.02 | 1 | 9 | -1 | 124 | 423.446 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 1.85 | -46.9 | 3 | 9 | 1 | 127 | 425.462 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.