UCSF

ZINC20744754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 1.89 3.51 -12.43 2 7 0 89 360.373 2
Ref Reference (pH 7) 1.71 5.91 -10.67 2 7 0 85 360.373 2

Activity (Go SEA)

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