UCSF

ZINC20054100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 13 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) 0.03 1.55 -40.25 3 4 1 46 188.295 7
Mid Mid (pH 6-8) 0.03 2.96 -103.9 4 4 2 50 189.303 7
Mid Mid (pH 6-8) 0.03 0.43 -43.28 3 4 1 49 188.295 7

Activity (Go SEA)

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