UCSF

ZINC37760359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 14 No

Other Names:

MFCD12807996

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) -0.21 -3.46 -31.97 4 5 1 88 197.214 4
Hi High (pH 8-9.5) -0.28 -0.66 -40.23 3 5 0 87 196.206 4
Mid Mid (pH 6-8) -0.28 -2.12 -10.98 3 5 0 82 196.206 4
Mid Mid (pH 6-8) -0.28 -1.12 -51.03 2 5 -1 85 195.198 4
Lo Low (pH 4.5-6) -0.28 -1.66 -41.55 4 5 1 84 197.214 4

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% )