UCSF

ZINC42370851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.79 6.34 -32.81 2 4 1 35 279.404 7
Mid Mid (pH 6-8) 2.79 5.17 -5.32 1 4 0 34 278.396 7

Activity (Go SEA)

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