UCSF

ZINC20130073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 24 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) 1.49 4.46 -7.96 1 5 0 43 334.46 10
Mid Mid (pH 6-8) 1.49 6.73 -43.49 2 5 1 44 335.468 10

Activity (Go SEA)

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