UCSF

ZINC40748093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 1.36 5.16 -47.34 2 4 1 40 280.436 6
Mid Mid (pH 6-8) 1.36 7.17 -103.39 3 4 2 41 281.444 6

Activity (Go SEA)

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