UCSF

ZINC00661581

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD03234417

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) 4.64 7.94 -11.39 3 5 0 77 403.507 5
Mid Mid (pH 6-8) 4.64 8.26 -34.88 4 5 1 78 404.515 5

Activity (Go SEA)

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