UCSF

ZINC06689456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 22 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) 3.98 10.72 -43.49 2 3 1 34 298.454 5
Mid Mid (pH 6-8) 3.98 11.2 -116.7 3 3 2 36 299.462 5

Activity (Go SEA)

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