UCSF

ZINC30919260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 34 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) 4.00 7.71 -12.36 1 7 0 85 494.491 9
Mid Mid (pH 6-8) 4.00 7.75 -44.62 0 7 -1 87 493.483 9

Activity (Go SEA)

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