UCSF

ZINC40266764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 24 No

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) -0.37 1.26 -9.19 1 8 0 82 332.36 2
Mid Mid (pH 6-8) -0.37 3.62 -45.86 2 8 1 83 333.368 2

Activity (Go SEA)

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