UCSF

ZINC34926578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 No

CAS Number: 1142205-98-8

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) -0.01 7.07 -50.33 0 6 -1 67 304.37 6
Mid Mid (pH 6-8) -0.01 9.28 -71.62 1 6 0 68 305.378 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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