UCSF

ZINC17016970

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 33 No

Popular Name: N-[(7S)-5,7-bis(4-chlorophenyl)-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methyl-benzamide N-[(7S)-5,7-bis(4-chlorophenyl)-…

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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) 6.11 17.34 -22.28 1 6 0 72 476.367 4 ↓
Hi High (pH 8-9.5) 6.12 18.03 -48.2 1 6 -1 73 475.359 4 ↓
Hi High (pH 8-9.5) 6.12 18.28 -15.64 2 6 0 75 476.367 4 ↓
Mid Mid (pH 6-8) 6.11 17.66 -45.53 2 6 1 74 477.375 4 ↓

Activity (Go SEA)

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