UCSF

ZINC20998186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 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) 2.02 7.38 -99.99 4 6 2 63 404.599 10
Hi High (pH 8-9.5) 2.02 6.25 -39.4 3 6 1 58 403.591 10
Lo Low (pH 4.5-6) 2.02 7.82 -103.7 4 6 2 59 404.599 10

Activity (Go SEA)

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