UCSF

ZINC71791211

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 16 No

CAS Number: 87-67-2

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) -5.04 3.82 -55.21 2 7 0 107 235.236 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0470895B1; US3980679; US5393532 IBM Patent Data

Activity (Go SEA)

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

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