UCSF

ZINC65526372

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: N-[(2S)-2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2 N-[(2S)-2-(3-pyridyl)-2-pyrrolid…

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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) 0.53 5.65 -95.56 4 7 2 81 356.474 5 ↓
Hi High (pH 8-9.5) 0.53 1.57 -12.82 2 7 0 75 354.458 5 ↓
Mid Mid (pH 6-8) 0.53 2.83 -54.74 3 7 1 80 355.466 5 ↓

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

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