UCSF

ZINC36950343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 0.05 1.1 -82.28 4 4 2 45 217.357 5
Mid Mid (pH 6-8) 0.05 -1.27 -37.07 3 4 1 43 216.349 5

Activity (Go SEA)

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