UCSF

ZINC39555786

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 35 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) 2.99 10.1 -23.33 1 8 0 83 474.609 4
Mid Mid (pH 6-8) 2.99 12.24 -59.02 2 8 1 85 475.617 4

Activity (Go SEA)

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