UCSF

ZINC00949753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 35 Yes

Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7R)-7-(2,5-dimethoxyphenyl)-5-m…

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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) 3.91 11.56 -14.36 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 4.09 10.97 -48.88 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 4.09 11.51 -31.63 3 9 1 108 469.525 6 ↓
Lo Low (pH 4.5-6) 3.91 11.82 -43.57 3 9 1 104 469.525 6 ↓

Activity (Go SEA)

Rings

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

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