UCSF

ZINC19834867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 No

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) -0.50 2.78 -44.42 4 4 1 60 216.33 6
Hi High (pH 8-9.5) -0.50 0.47 -14.7 3 4 0 58 215.322 6

Activity (Go SEA)

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