UCSF

ZINC19686526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

CAS Number: 1361116-59-7

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.35 3.89 -87.44 4 4 2 56 208.309 2
Mid Mid (pH 6-8) 0.35 3.52 -43.95 3 4 1 54 207.301 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.