UCSF

ZINC46082509

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 18 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) 0.94 6.3 -43.79 1 4 1 34 249.334 4
Hi High (pH 8-9.5) 0.94 4.05 -9.67 0 4 0 33 248.326 4

Activity (Go SEA)

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