UCSF

ZINC67955238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: (3R)-1-[2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)ethyl]piperidine-3-carboxa (3R)-1-[2-(7,7-dimethyl-4-oxo-1,…

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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) 0.62 2.47 -55.29 5 7 1 105 334.444 4 ↓
Ref Reference (pH 7) 0.62 2.42 -48.83 5 7 1 105 334.444 4 ↓
Hi High (pH 8-9.5) 0.62 0.21 -15.65 4 7 0 104 333.436 4 ↓
Hi High (pH 8-9.5) 0.62 0.23 -25.28 4 7 0 104 333.436 4 ↓

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

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