UCSF

ZINC42447153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 3.44 9.68 -43.25 1 2 1 22 250.337 4
Hi High (pH 8-9.5) 3.44 7.5 -10.68 0 2 0 20 249.329 4

Activity (Go SEA)

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