UCSF

ZINC31959774

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.72 5.98 -56.54 4 4 1 70 290.412 5
Hi High (pH 8-9.5) 3.28 4.71 -8.92 3 4 0 71 289.404 4
Mid Mid (pH 6-8) 2.54 4.91 -45.15 3 4 0 76 289.404 5

Activity (Go SEA)

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