UCSF

ZINC31978088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.50 5.82 -90.32 4 4 2 45 293.455 7
Hi High (pH 8-9.5) 1.50 3.35 -47.99 3 4 1 43 292.447 7
Mid Mid (pH 6-8) 1.50 5.37 -91.24 4 4 2 45 293.455 7

Activity (Go SEA)

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