UCSF

ZINC00186488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 Yes

Popular Name: 4-[(2-thienylmethyl)amino]benzoic acid 4-[(2-thienylmethyl)amino]benzoi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1715-13-5 , 451498-55-8

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) 3.00 6.77 -51.34 1 3 -1 52 232.284 4 ↓
Lo Low (pH 4.5-6) 3.00 4.8 -7.31 2 3 0 49 233.292 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 172 - 174 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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