UCSF

ZINC04135987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 15 No

CAS Number: 302806-16-2

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) -0.64 -2.09 -57.2 3 5 1 84 232.281 3
Mid Mid (pH 6-8) -0.64 -3.26 -15.27 2 5 0 80 231.273 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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