UCSF

ZINC27587710

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 29 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) 5.38 12.14 -9.24 1 4 0 47 403.913 5
Mid Mid (pH 6-8) 5.38 12.57 -34.3 2 4 1 48 404.921 5

Activity (Go SEA)

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