UCSF

ZINC19900974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 14 Yes

Other Names:

MFCD11141053

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) 2.25 4.77 -37.73 2 2 1 20 201.378 7
Hi High (pH 8-9.5) 2.25 5.78 -27.91 2 2 1 16 201.378 7
Mid Mid (pH 6-8) 2.25 6.81 -108.4 3 2 2 21 202.386 7

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% )