UCSF

ZINC43772225

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 25 Yes

CAS Number: 56985-40-1

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) 4.55 10.06 -47.27 1 4 -1 70 349.491 12
Lo Low (pH 4.5-6) 4.55 8.08 -7.96 2 4 0 67 350.499 12

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.