UCSF

ZINC43395742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.47 2.77 -103.8 5 4 2 65 237.347 3
Hi High (pH 8-9.5) 0.47 2.34 -26.48 4 4 1 64 236.339 3
Mid Mid (pH 6-8) 0.47 2.32 -52.98 4 4 1 64 236.339 3

Activity (Go SEA)

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