UCSF

ZINC31962617

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -0.32 0.51 -54 4 6 1 82 265.337 5
Mid Mid (pH 6-8) -0.32 0.8 -93.44 5 6 2 83 266.345 5

Activity (Go SEA)

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