UCSF

ZINC34678936

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 Yes

Popular Name: (2S)-1-(5-benzyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-(3-pyridylmethyl)p (2S)-1-(5-benzyl-4-oxo-7,8-dihyd…

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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) 0.93 8.76 -25.34 1 9 0 100 472.549 6 ↓
Lo Low (pH 4.5-6) 0.93 9.23 -55.71 2 9 1 102 473.557 6 ↓

Activity (Go SEA)

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