UCSF

ZINC19735334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 Yes

CAS Number: 415971-00-5

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) 1.97 6.28 -38.98 2 4 1 35 279.404 6
Mid Mid (pH 6-8) 1.97 5.08 -48.26 2 4 1 38 279.404 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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