UCSF

ZINC37919603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 20 Yes

Popular Name: 1-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(9-chloro-3,4-dihydro-2H-1,5-b…

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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) 1.04 5.82 -49.39 3 6 1 77 295.75 4 ↓
Hi High (pH 8-9.5) 1.04 5.64 -42.66 2 6 0 75 294.742 4 ↓
Hi High (pH 8-9.5) 1.04 4.46 -11.78 2 6 0 72 294.742 4 ↓

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

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