UCSF

ZINC03941041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 34 Yes

Popular Name: 2-benzyloxycarbonylamino-3-[4-[3-(4,5-dihydro-1H-imidazol-2-ylcarbamoyl)propoxy]phenyl]-propanoic 2-benzyloxycarbonylamino-3-[4-[3…

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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) 2.18 -4.37 -75.84 4 10 0 142 468.51 13 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1042301A1; WO1999032457A1 IBM Patent Data

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Rings

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

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