UCSF

ZINC36880340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.61 3.21 -56.44 5 4 1 77 249.334 2
Hi High (pH 8-9.5) 1.61 4.21 -87.98 4 4 0 80 248.326 2

Activity (Go SEA)

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