UCSF

ZINC37989218

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 3.33 7.03 -55.03 3 4 1 55 404.126 6
Hi High (pH 8-9.5) 3.33 5.62 -6.7 2 4 0 50 403.118 6

Activity (Go SEA)

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