UCSF

ZINC38002049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.26 7.91 -40.94 2 2 1 26 321.304 8
Hi High (pH 8-9.5) 4.26 6.7 -2.83 1 2 0 21 320.296 8

Activity (Go SEA)

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