UCSF

ZINC31974028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.48 0.58 -54.67 4 5 1 79 262.314 2
Hi High (pH 8-9.5) 0.48 0.19 -10.28 3 5 0 77 261.306 2

Activity (Go SEA)

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