UCSF

ZINC36874127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

Other Names:

MFCD12105656

MFCD19686398

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) 2.01 5.94 -40 3 3 1 45 232.282 2
Hi High (pH 8-9.5) 2.01 4.26 -5.49 2 3 0 41 231.274 2
Hi High (pH 8-9.5) 2.01 4.28 -7.11 2 3 0 41 231.274 2
Lo Low (pH 4.5-6) 2.01 6.33 -113.04 4 3 2 47 233.29 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% )