UCSF

ZINC43406040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.05 5.5 -100.68 4 4 2 54 277.412 5
Hi High (pH 8-9.5) 2.05 4.97 -30.55 3 4 1 53 276.404 5

Activity (Go SEA)

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