UCSF

ZINC39759279

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 27 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) 5.04 9.95 -9.87 2 6 0 80 494.358 7
Hi High (pH 8-9.5) 5.04 9.75 -44.95 1 6 -1 78 493.35 7

Activity (Go SEA)

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