UCSF

ZINC01889802

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 30 Yes

Popular Name: N-[4-[(7S)-7-(4-chlorophenyl)-2-(3-hydroxypropyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]p N-[4-[(7S)-7-(4-chlorophenyl)-2-…

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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) 2.92 9.06 -24.66 2 7 0 92 423.904 6 ↓
Mid Mid (pH 6-8) 2.92 10.42 -39.62 4 7 1 97 424.912 6 ↓
Mid Mid (pH 6-8) 2.92 9.53 -39 3 7 1 94 424.912 6 ↓
Lo Low (pH 4.5-6) 2.92 9.39 -44.48 3 7 1 94 424.912 6 ↓

Activity (Go SEA)

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