UCSF

ZINC19733227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 Yes

CAS Number: 302801-90-7

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) 1.08 3.28 -37.32 3 4 1 46 253.366 9
Mid Mid (pH 6-8) 1.08 2.25 -41.75 3 4 1 49 253.366 9

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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