UCSF

ZINC39693926

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) 0.84 9.24 -99.11 4 8 2 87 478.641 5
Mid Mid (pH 6-8) 0.84 6.89 -52.26 3 8 1 85 477.633 5

Activity (Go SEA)

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