UCSF

ZINC13507150

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

CAS Number: 76684-89-4

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) 0.88 3.16 -52.29 2 7 -1 111 313.374 9

Vendor Notes

Note Type Comments Provided By
Notes Cysteine protease inhibitor Apollo Scientific Bioactives

Activity (Go SEA)

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