UCSF

ZINC37039812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.42 3.89 -110.9 5 5 2 64 270.421 5
Hi High (pH 8-9.5) -0.42 1.62 -48.84 4 5 1 63 269.413 5
Mid Mid (pH 6-8) -0.42 2.16 -90.57 5 5 2 64 270.421 5

Activity (Go SEA)

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