UCSF

ZINC48785329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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) 0.47 5.82 -44.98 2 4 1 56 269.271 5
Hi High (pH 8-9.5) 0.47 4.47 -5.69 1 4 0 51 268.263 5

Activity (Go SEA)

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