UCSF

ZINC20443406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 9 Yes

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) 0.07 -1.6 -107.21 5 3 2 62 126.159 1
Hi High (pH 8-9.5) 0.07 -1.44 -35.49 3 3 0 64 124.143 1
Mid Mid (pH 6-8) 0.07 -1.04 -63.86 4 3 1 65 125.151 1
Mid Mid (pH 6-8) 0.07 -1.83 -40.89 2 3 -1 62 123.135 1
Mid Mid (pH 6-8) 0.07 -1.42 -29.42 3 3 0 63 124.143 1
Mid Mid (pH 6-8) 0.07 -2.62 -7.68 3 3 0 59 124.143 1

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% )