UCSF

ZINC43707468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 1.61 4.42 -51.96 3 4 1 55 265.377 2
Hi High (pH 8-9.5) 1.61 3.07 -9.5 2 4 0 50 264.369 2

Activity (Go SEA)

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