UCSF

ZINC45653086

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.57 9.28 -79.79 3 4 2 34 290.455 4
Hi High (pH 8-9.5) 3.57 8.93 -36.77 2 4 1 33 289.447 4
Hi High (pH 8-9.5) 3.57 6.77 -25.93 2 4 1 33 289.447 4

Activity (Go SEA)

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