UCSF

ZINC17014967

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 35 No

Popular Name: N-[(7R)-7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitro-benza N-[(7R)-7-(4-methoxyphenyl)-5-ph…

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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) 4.32 16.09 -22.79 1 10 0 127 468.473 6 ↓
Hi High (pH 8-9.5) 4.33 16.34 -51.46 1 10 -1 128 467.465 6 ↓
Hi High (pH 8-9.5) 4.33 16.61 -18.1 2 10 0 130 468.473 6 ↓
Mid Mid (pH 6-8) 4.32 16.41 -46.18 2 10 1 129 469.481 6 ↓

Activity (Go SEA)

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