UCSF

ZINC30730975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 32 No

CAS Number: 31575-91-4

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) 3.22 2.58 -15.31 4 5 0 98 448.644 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0740930A1; US5198225; US5609873; US5753249; US5976515; WO1997020469A1 IBM Patent Data

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

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