UCSF

ZINC43897405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.84 8.65 -86.68 3 3 2 24 291.483 6
Hi High (pH 8-9.5) 2.84 8.46 -96.43 3 3 2 21 291.483 6
Hi High (pH 8-9.5) 2.84 7.65 -109.41 3 3 2 24 291.483 6
Hi High (pH 8-9.5) 2.84 5.84 -32.79 2 3 1 20 290.475 6
Hi High (pH 8-9.5) 2.84 6.05 -32.4 2 3 1 20 290.475 6

Activity (Go SEA)

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