UCSF

ZINC38223317

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 33 Yes

Popular Name: 3-[(7S)-5,7-bis(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol 3-[(7S)-5,7-bis(3,4-dimethoxyphe…

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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) 2.31 8.55 -39.71 2 9 1 101 453.519 9 ↓
Mid Mid (pH 6-8) 2.32 9.46 -40.57 3 9 1 105 453.519 9 ↓
Mid Mid (pH 6-8) 2.31 8.06 -22.59 1 9 0 100 452.511 9 ↓
Lo Low (pH 4.5-6) 2.31 8.39 -46.17 2 9 1 102 453.519 9 ↓

Activity (Go SEA)

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