UCSF

ZINC43707796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) 1.44 4.44 -57.92 3 4 1 55 255.725 2
Hi High (pH 8-9.5) 1.44 3.09 -12.87 2 4 0 50 254.717 2

Activity (Go SEA)

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