UCSF

ZINC37826964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.18 8.71 -93.03 3 4 2 41 295.471 4
Hi High (pH 8-9.5) 2.18 7.51 -41.37 2 4 1 37 294.463 4

Activity (Go SEA)

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