UCSF

ZINC13124871

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 No

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

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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) 2.10 9.98 -22.41 1 6 0 72 303.753 2 ↓
Hi High (pH 8-9.5) 2.48 10.69 -47.86 1 6 -1 73 302.745 2 ↓
Mid Mid (pH 6-8) 2.48 11.24 -33.01 3 6 1 77 304.761 2 ↓
Mid Mid (pH 6-8) 3.00 9.72 -94.68 4 6 2 82 305.769 2 ↓
Mid Mid (pH 6-8) 2.62 8.46 -40.04 2 6 1 77 304.761 2 ↓

Activity (Go SEA)

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