UCSF

ZINC55327950

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) 3.37 11.52 -47.47 1 4 1 38 346.52 7
Mid Mid (pH 6-8) 3.37 9.03 -8.05 0 4 0 36 345.512 7

Activity (Go SEA)

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