UCSF

ZINC20109371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 36 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) 1.51 9.75 -45.94 2 10 1 113 485.524 8
Mid Mid (pH 6-8) 1.51 7.36 -15.86 1 10 0 111 484.516 8

Activity (Go SEA)

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