UCSF

ZINC57744964

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 24 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) -0.15 3.01 -48.11 3 7 1 73 336.46 8
Mid Mid (pH 6-8) -0.15 5.32 -79.08 4 7 2 74 337.468 8

Activity (Go SEA)

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