UCSF

ZINC00186853

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 17 Yes

Popular Name: MFCD01578113 MFCD01578113

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CAS Number: 435342-19-1

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) 1.73 8.68 -46.39 3 4 1 48 231.323 3 ↓
Hi High (pH 8-9.5) 1.73 6.22 -7.79 2 4 0 47 230.315 3 ↓
Mid Mid (pH 6-8) 1.73 9.16 -92.1 4 4 2 50 232.331 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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