UCSF

ZINC60252230

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 12 Yes

CAS Number: 1361111-36-5

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) -1.12 1.07 -42.99 2 4 1 37 172.252 1
Mid Mid (pH 6-8) -1.12 -1.32 -6.93 1 4 0 36 171.244 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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