UCSF

ZINC62618762

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 18 Yes

Popular Name: 1-benzyl-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-benzyl-2,3,4,5-tetrahydro-1,4-…

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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) 2.81 8.52 -42.08 2 2 1 20 239.342 2 ↓
Hi High (pH 8-9.5) 2.81 7.27 -3.86 1 2 0 15 238.334 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997023202A1 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.