UCSF

ZINC20189592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 No

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) 1.83 2.78 -39.62 4 4 1 57 265.377 5
Hi High (pH 8-9.5) 1.83 2.52 -71.41 3 4 0 63 264.369 5
Hi High (pH 8-9.5) 1.83 2.68 -53.09 3 4 0 63 264.369 5
Mid Mid (pH 6-8) 1.83 1.73 -48.32 4 4 1 60 265.377 5

Activity (Go SEA)

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