UCSF

ZINC33776841

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 2.99 6.11 -47.41 2 8 1 85 454.576 9
Mid Mid (pH 6-8) 2.99 3.87 -14.05 1 8 0 84 453.568 9

Activity (Go SEA)

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