UCSF

ZINC13827607

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 33 No

CAS Number: 3604-87-3

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) 2.30 -0.06 -11.01 5 6 0 118 464.643 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996037609A1 IBM Patent Data

Activity (Go SEA)

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

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