UCSF

ZINC32118132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.57 6.02 -41.3 3 4 1 57 271.34 5
Mid Mid (pH 6-8) 1.57 5.63 -9.43 2 4 0 56 270.332 5

Activity (Go SEA)

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