UCSF

ZINC19519145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 1.47 5.22 -103.78 4 3 2 35 261.413 2
Mid Mid (pH 6-8) 1.47 2.74 -44.29 3 3 1 34 260.405 2

Activity (Go SEA)

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