UCSF

ZINC33526359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 32 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) 5.36 11.07 -13.77 1 4 0 45 457.59 12
Mid Mid (pH 6-8) 5.36 13.31 -55.99 2 4 1 46 458.598 12

Activity (Go SEA)

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