UCSF

ZINC31962530

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) 1.59 5.49 -51.78 4 5 1 73 279.408 9
Mid Mid (pH 6-8) 1.59 5.83 -88.94 5 5 2 74 280.416 9

Activity (Go SEA)

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