UCSF

ZINC08752933

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 28 Yes

Popular Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(2-hydroxy-9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-t N-(1-cyano-1,2-dimethyl-propyl)-…

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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) 4.39 7.29 -21.83 2 6 0 99 412.54 6 ↓
Mid Mid (pH 6-8) 4.85 6.03 -51.61 1 6 -1 102 411.532 6 ↓
Mid Mid (pH 6-8) 4.39 7.78 -19.37 2 6 0 99 412.54 6 ↓

Activity (Go SEA)

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