UCSF

ZINC33772800

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 5.10 12.77 -8.4 0 5 0 41 474.967 5
Mid Mid (pH 6-8) 5.10 15.08 -46.92 1 5 1 43 475.975 5

Activity (Go SEA)

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