UCSF

ZINC25073093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 30 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) 4.86 11.95 -19.39 1 5 0 56 403.457 6
Mid Mid (pH 6-8) 4.86 12.37 -39.54 2 5 1 57 404.465 6

Activity (Go SEA)

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