UCSF

ZINC32522370

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 15 Yes

Popular Name: MFCD08445808 MFCD08445808

Find On: PubMed — Wikipedia — Google

CAS Number: 889940-06-1

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) 1.58 6.2 -114.78 4 2 2 32 206.333 3 ↓
Hi High (pH 8-9.5) 1.58 3.77 -42.55 3 2 1 31 205.325 3 ↓
Mid Mid (pH 6-8) 1.58 6.55 -28.11 3 2 1 30 205.325 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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