UCSF

ZINC29252137

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 28 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) 2.82 7.66 -148.38 6 5 3 61 380.56 8
Hi High (pH 8-9.5) 2.82 5.34 -76.74 5 5 2 60 379.552 8
Mid Mid (pH 6-8) 2.82 7.67 -152.08 6 5 3 61 380.56 8

Activity (Go SEA)

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