UCSF

ZINC25073268

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) 4.71 11.87 -20.88 1 5 0 56 403.457 7
Mid Mid (pH 6-8) 4.71 12.28 -40.72 2 5 1 57 404.465 7

Activity (Go SEA)

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