UCSF

ZINC17071431

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 No

Popular Name: (9S)-6,6-dimethyl-2-methylsulfanyl-9-(4-pyridyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin (9S)-6,6-dimethyl-2-methylsulfan…

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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) 2.01 9.7 -16.2 1 6 0 73 341.44 2 ↓
Hi High (pH 8-9.5) 2.18 9.56 -39.39 0 6 -1 74 340.432 2 ↓
Lo Low (pH 4.5-6) 2.35 9.96 -45.55 2 6 1 77 342.448 2 ↓
Lo Low (pH 4.5-6) 2.35 9.96 -28.67 2 6 1 78 342.448 2 ↓

Activity (Go SEA)

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