UCSF

ZINC43801747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.34 2.27 -52.92 2 5 1 55 241.311 1
Hi High (pH 8-9.5) -0.34 0.91 -9.39 1 5 0 51 240.303 1

Activity (Go SEA)

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