UCSF

ZINC37026791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.46 1.28 -51.74 5 5 1 89 266.346 3
Mid Mid (pH 6-8) 0.46 -0.09 -12.25 4 5 0 84 265.338 3

Activity (Go SEA)

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