UCSF

ZINC67458397

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: [(3S)-3-aminopyrrolidin-1-yl]-(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanon [(3S)-3-aminopyrrolidin-1-yl]-(5…

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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) 0.63 6.91 -103.62 4 6 2 70 341.459 3 ↓
Hi High (pH 8-9.5) 0.63 4.55 -12.95 2 6 0 67 339.443 3 ↓
Mid Mid (pH 6-8) 0.63 4.85 -55.34 3 6 1 69 340.451 3 ↓

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

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