UCSF

ZINC27646846

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 16 Yes

CAS Number: 442-51-3

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) 0.87 4.48 -86.62 2 3 2 37 214.268 1
Hi High (pH 8-9.5) 0.87 4.08 -28.97 1 3 1 36 213.26 1

Activity (Go SEA)

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

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