UCSF

ZINC41195739

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 2.43 7.12 -38.39 2 4 1 47 291.444 5
Mid Mid (pH 6-8) 2.43 5.93 -8.84 1 4 0 43 290.436 5

Activity (Go SEA)

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