UCSF

ZINC39712873

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 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) 6.81 12.06 -7.83 0 6 0 55 516.107 11
Mid Mid (pH 6-8) 6.81 14.34 -40.51 1 6 1 56 517.115 11

Activity (Go SEA)

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