UCSF

ZINC67491088

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-hydroxy-N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)butyl]p 3-hydroxy-N-[(1S)-3-methyl-1-(6,…

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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) 0.52 5.16 -82.43 4 8 1 114 345.427 5 ↓
Hi High (pH 8-9.5) 0.52 4.7 -89.02 3 8 0 112 344.419 5 ↓
Hi High (pH 8-9.5) 0.52 3.26 -54.01 2 8 -1 108 343.411 5 ↓
Mid Mid (pH 6-8) 0.52 3.69 -62.14 4 8 1 110 345.427 5 ↓

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Rings

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

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