UCSF

ZINC20247116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 0.56 4.68 -45.92 2 4 1 45 235.307 1
Hi High (pH 8-9.5) 0.56 2.69 -12.05 1 4 0 44 234.299 1

Activity (Go SEA)

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