UCSF

ZINC33670990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 6.72 14.38 -18.99 1 6 0 75 484.71 10
Hi High (pH 8-9.5) 6.90 13.29 -41.98 0 6 -1 82 483.702 10

Activity (Go SEA)

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