UCSF

ZINC35565247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 28 Yes

CAS Number: 171596-29-5

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) 2.40 7.71 -44.61 2 6 1 55 378.452 1
Hi High (pH 8-9.5) 2.40 6.09 -9.85 1 6 0 54 377.444 1

Activity (Go SEA)

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

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