UCSF

ZINC38526553

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 17 Yes

Popular Name: MFCD08741476 MFCD08741476

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185000-03-6 , 1185300-14-4 , N/A

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) 2.77 7.33 -117.47 4 2 2 32 254.805 3 ↓
Hi High (pH 8-9.5) 2.77 6.91 -27.39 3 2 1 30 253.797 3 ↓
Mid Mid (pH 6-8) 2.77 5.55 -42.03 3 2 1 31 253.797 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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