UCSF

ZINC05157960

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 7 Yes

CAS Numbers: 2464-18-8 , 600-17-9

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) -0.44 -1.04 -43.83 1 3 -1 60 101.081 2

Activity (Go SEA)

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

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