UCSF

ZINC39965041

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 3.90 6.11 -21.54 2 8 0 99 486.638 9
Mid Mid (pH 6-8) 3.90 8.27 -60.95 3 8 1 100 487.646 9

Activity (Go SEA)

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