UCSF

ZINC42908661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.33 9.08 -119.82 4 2 2 32 262.441 7
Hi High (pH 8-9.5) 3.33 8.77 -30.78 3 2 1 30 261.433 7
Hi High (pH 8-9.5) 3.33 6.69 -41.22 3 2 1 31 261.433 7

Activity (Go SEA)

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