UCSF

ZINC04045565

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 11 Yes

Popular Name: 4-(propylthio)aniline 4-(propylthio)aniline

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CAS Number: 22133-40-0

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) 2.33 -1.08 -3.47 2 1 0 26 167.277 3 ↓

Activity (Go SEA)

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