UCSF

ZINC40466263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 2.03 7.74 -37.85 1 4 1 40 250.318 7
Hi High (pH 8-9.5) 2.03 5.68 -7.69 0 4 0 39 249.31 7

Activity (Go SEA)

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