UCSF

ZINC37869204

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 0.87 1.96 -32.66 4 4 1 60 228.36 5
Mid Mid (pH 6-8) 0.87 0.96 -41.94 4 4 1 63 228.36 5
Lo Low (pH 4.5-6) 0.87 3.23 -103.17 5 4 2 64 229.368 5

Activity (Go SEA)

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