UCSF

ZINC00690283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 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) 2.36 10.56 -57.65 3 8 1 96 484.646 10
Hi High (pH 8-9.5) 2.18 9.24 -72.08 2 8 0 102 483.638 10

Activity (Go SEA)

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