UCSF

ZINC19843235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) -0.10 1.91 -103.68 5 4 2 61 201.314 4
Hi High (pH 8-9.5) -0.10 -0.3 -52.15 4 4 1 60 200.306 4

Activity (Go SEA)

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