UCSF

ZINC66054750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 17 Yes

Popular Name: 10-METHYL-1,2,3,4,4A,5-HEXAHYDROBENZO[B]PYRAZINO[1,2-D][1,4]DIAZEPIN-6(7H)-ONE 10-METHYL-1,2,3,4,4A,5-HEXAHYDRO…

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CAS Number: 1252650-37-5

Other Names:

MFCD18711460

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) 2.23 3.29 -44.41 3 4 1 49 232.307 0 ↓
Hi High (pH 8-9.5) 2.23 1.96 -6.1 2 4 0 44 231.299 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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