UCSF

ZINC71575966

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Popular Name: 2-[ethyl(methyl)amino]-1-[(3R)-4-[(4-fluorophenyl)methyl]-3-isopropyl-1,4-diazepan-1-yl]ethanone 2-[ethyl(methyl)amino]-1-[(3R)-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) 2.90 11.81 -95.5 2 4 2 29 351.51 6 ↓
Hi High (pH 8-9.5) 2.90 7.32 -8.86 0 4 0 27 349.494 6 ↓
Mid Mid (pH 6-8) 2.90 9.59 -36.05 1 4 1 28 350.502 6 ↓

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

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