UCSF

ZINC37992513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 0.34 5.73 -48.37 3 2 1 41 213.304 3
Hi High (pH 8-9.5) 0.34 5.42 -5 2 2 0 39 212.296 3

Activity (Go SEA)

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