UCSF

ZINC40994017

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 16 Yes

Other Names:

MFCD14615036

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) 1.28 4.88 -47.07 3 2 1 41 237.323 2
Mid Mid (pH 6-8) 1.28 4.53 -4.98 2 2 0 39 236.315 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% )