UCSF

ZINC33687457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 No

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) 5.08 12.19 -12.86 1 5 0 37 455.668 11
Mid Mid (pH 6-8) 5.08 14.45 -55.54 2 5 1 38 456.676 11

Activity (Go SEA)

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