UCSF

ZINC44649918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 2.49 8.29 -37.92 2 3 1 37 299.797 7
Hi High (pH 8-9.5) 2.49 6.94 -8.45 1 3 0 32 298.789 7

Activity (Go SEA)

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