UCSF

ZINC13127611

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 Yes

Popular Name: 4-[(7R)-5-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]-N,N-dimethyl-aniline 4-[(7R)-5-(3-methoxyphenyl)-1,7-…

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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) 3.23 11.91 -16.04 0 6 0 56 347.422 4 ↓
Mid Mid (pH 6-8) 3.24 12.81 -46.67 2 6 1 60 348.43 4 ↓
Lo Low (pH 4.5-6) 3.23 12.21 -35.3 1 6 1 57 348.43 4 ↓
Lo Low (pH 4.5-6) 3.23 13.17 -61.77 2 6 0 58 349.438 4 ↓
Lo Low (pH 4.5-6) 3.24 13.34 -32.03 2 6 0 60 348.43 4 ↓

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