UCSF

ZINC34667804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.16 11.98 -44.27 3 7 1 79 479.004 5
Mid Mid (pH 6-8) 5.16 11.63 -14.36 2 7 0 78 477.996 5

Activity (Go SEA)

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