UCSF

ZINC42869413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.09 5.03 -92.01 4 3 2 45 241.404 4
Hi High (pH 8-9.5) 1.09 2.95 -44.43 3 3 1 44 240.396 4

Activity (Go SEA)

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