UCSF

ZINC32133862

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 13 Yes

CAS Number: 36042-29-2

Other Names:

Benzenamine, 3-hexyl-

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) 3.86 6.92 -2.31 2 1 0 26 177.291 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4804654 IBM Patent Data

Activity (Go SEA)

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