UCSF

ZINC39379248

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 30 No

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) 2.73 11.03 -16.05 0 8 0 102 411.458 8
Mid Mid (pH 6-8) 2.73 13.33 -57.25 1 8 1 103 412.466 8

Activity (Go SEA)

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