UCSF

ZINC34926917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 No

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) 1.04 5.83 -45.07 5 4 1 64 207.282 1
Ref Reference (pH 7) 1.04 5.73 -44.8 5 4 1 64 207.282 1
Mid Mid (pH 6-8) 1.17 5.55 -11.32 4 4 0 60 206.274 1
Mid Mid (pH 6-8) 1.17 5.55 -11.04 4 4 0 60 206.274 1
Mid Mid (pH 6-8) 1.17 5.49 -47.23 5 4 1 62 207.282 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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