UCSF

ZINC20890199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 20 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) 1.44 6.92 -25.28 1 6 0 85 287.3 2
Hi High (pH 8-9.5) 1.51 5.99 -51.04 0 6 -1 91 286.292 2

Activity (Go SEA)

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