UCSF

ZINC02084458

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 30 Yes

Popular Name: N,N-dimethyl-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline N,N-dimethyl-4-[3-(pentylsulfany…

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Other Names:

MFCD01647886

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) 5.75 -3.18 -8.87 1 6 0 63 421.57 7 ↓

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

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