UCSF

ZINC22056888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 38 Yes

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) 5.94 17.1 -47.73 1 5 1 41 508.638 8
Mid Mid (pH 6-8) 5.94 14.84 -12.36 0 5 0 40 507.63 8

Activity (Go SEA)

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