UCSF

ZINC27420027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 24 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) -0.33 4.17 -71.16 1 6 -1 86 331.323 3
Mid Mid (pH 6-8) -3.08 3.21 -32.49 2 6 0 89 332.331 2

Activity (Go SEA)

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