UCSF

ZINC37033009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.68 1.81 -53.1 5 6 1 89 277.348 5
Hi High (pH 8-9.5) 0.68 1.52 -13.27 4 6 0 87 276.34 5

Activity (Go SEA)

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