UCSF

ZINC39265439

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 2.21 8.77 -17.34 1 8 0 90 401.474 5
Mid Mid (pH 6-8) 2.21 10.93 -61.2 2 8 1 91 402.482 5

Activity (Go SEA)

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