UCSF

ZINC25503115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 18 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) 2.15 6.23 -44.22 3 5 1 70 266.346 5
Hi High (pH 8-9.5) 2.15 3.67 -11.1 2 5 0 68 265.338 5

Activity (Go SEA)

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