UCSF

ZINC34578490

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.48 0.03 -49.93 3 4 1 63 157.193 3
Ref Reference (pH 7) -0.48 0.03 -49.93 3 4 1 63 157.193 3
Hi High (pH 8-9.5) -0.48 -1.23 -8.89 2 4 0 58 156.185 3
Hi High (pH 8-9.5) -0.29 -3.76 -41.44 1 4 -1 65 155.177 3
Hi High (pH 8-9.5) -0.48 -1.22 -6.98 2 4 0 58 156.185 3
Mid Mid (pH 6-8) -0.29 -2.51 -43.7 2 4 0 69 156.185 3
Mid Mid (pH 6-8) -0.29 -2.51 -43.7 2 4 0 69 156.185 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )