UCSF

ZINC38343407

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 12 Yes

Other Names:

MFCD13196464

MFCD13196569

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) 0.96 3.07 -34.42 2 2 1 20 169.292 1
Hi High (pH 8-9.5) 0.96 1.76 -0.88 1 2 0 15 168.284 1
Mid Mid (pH 6-8) 0.96 3.85 -26.57 2 2 1 16 169.292 1
Lo Low (pH 4.5-6) 0.96 5.17 -98.62 3 2 2 21 170.3 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% )