UCSF

ZINC69929733

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: 7-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyra 7-[(5-chloro-1,3-dimethyl-pyrazo…

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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) 1.17 8.26 -54 1 6 1 53 309.825 3 ↓
Hi High (pH 8-9.5) 1.17 6.04 -15.37 0 6 0 52 308.817 3 ↓

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

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