UCSF

ZINC02547301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 8 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) 0.98 -0.07 -5.27 3 3 0 59 116.164 2
Ref Reference (pH 7) 1.11 0.08 -30.31 4 3 1 58 117.172 3
Lo Low (pH 4.5-6) 0.98 0.03 -31.15 4 3 1 60 117.172 2
Lo Low (pH 4.5-6) 0.98 0.1 -30.22 4 3 1 60 117.172 2

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% )