UCSF

ZINC39761759

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 37 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) 7.00 17.08 -15.3 1 6 0 73 525.703 8
Hi High (pH 8-9.5) 7.19 15.65 -49.02 0 6 -1 79 524.695 8

Activity (Go SEA)

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