UCSF

ZINC31958715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 1.88 6.65 -61.5 4 6 1 83 339.419 7
Mid Mid (pH 6-8) 1.88 7.06 -90.79 5 6 2 85 340.427 7

Activity (Go SEA)

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