UCSF

ZINC35738362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) -1.66 3.08 -45.62 4 4 1 63 234.323 2
Mid Mid (pH 6-8) -1.66 3.4 -103.35 5 4 2 65 235.331 2

Activity (Go SEA)

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