UCSF

ZINC40461052

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 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) 1.77 7.27 -48.72 1 5 1 49 304.313 9
Hi High (pH 8-9.5) 1.77 4.95 -9.86 0 5 0 48 303.305 9

Activity (Go SEA)

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