UCSF

ZINC32125568

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) 2.02 5.23 -32.37 2 4 1 37 279.404 5
Mid Mid (pH 6-8) 2.02 2.92 -4.83 1 4 0 36 278.396 5

Activity (Go SEA)

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