UCSF

ZINC39693947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 38 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) 1.57 10.32 -108.25 4 8 2 87 538.762 7
Mid Mid (pH 6-8) 1.57 7.96 -61.15 3 8 1 85 537.754 7

Activity (Go SEA)

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