UCSF

ZINC37875192

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.98 3.03 -46.92 3 4 1 70 235.307 6
Hi High (pH 8-9.5) 0.98 1.75 -7.42 2 4 0 65 234.299 6

Activity (Go SEA)

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