UCSF

ZINC35676946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 15 Yes

Other Names:

MFCD28348094

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) 0.15 0.04 -36.32 5 3 1 57 206.313 3
Hi High (pH 8-9.5) 0.15 2.3 -34.42 5 3 1 56 206.313 3
Mid Mid (pH 6-8) 0.15 0.24 -44.02 5 3 1 57 206.313 3
Mid Mid (pH 6-8) 0.15 0.48 -129.66 6 3 2 59 207.321 3

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% )