UCSF

ZINC30724426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 11 Yes

CAS Numbers: 15537-55-0 , 546-79-2

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) 2.32 3.97 -2.86 1 1 0 20 154.253 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0659721A1; EP0659721B1; US4162258; US4374292; US4861616; US5047251; US5110594; US5137741; US5177057; US5620569; WO1997011106A1; WO1997011595A1; WO2000021364A2 IBM Patent Data

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

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