UCSF

ZINC35314766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 28 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) 2.79 7.2 -10.64 0 6 0 55 403.91 7
Mid Mid (pH 6-8) 2.79 9.47 -44.42 1 6 1 56 404.918 7

Activity (Go SEA)

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