UCSF

ZINC32540501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 16 Yes

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) 1.19 4.82 -118.49 4 3 2 41 222.332 4
Hi High (pH 8-9.5) 1.19 2.39 -45.17 3 3 1 40 221.324 4
Mid Mid (pH 6-8) 1.19 5.16 -30.68 3 3 1 40 221.324 4

Vendor Notes

Note Type Comments Provided By
MP 181 - 183 Enamine Building Blocks
MP 181...183 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )