UCSF

ZINC39958223

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 12 Yes

Popular Name: MFCD22378810 MFCD22378810

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CAS Number: 1398389-37-1

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) 1.80 4.82 -107.62 4 2 2 32 172.316 2 ↓
Mid Mid (pH 6-8) 1.80 4.58 -28.88 3 2 1 30 171.308 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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