UCSF

ZINC39820392

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -4.50 -0.99 -148.27 8 10 0 194 332.357 12
Mid Mid (pH 6-8) -4.50 -1.29 -119.18 7 10 -1 192 331.349 12

Activity (Go SEA)

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