UCSF

ZINC21991980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

CAS Number: 55757-60-3

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) 2.63 2.92 -54.61 4 6 1 92 261.342 9

Vendor Notes

Note Type Comments Provided By
Purity 98.5% min APIChem

Activity (Go SEA)

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