UCSF

ZINC03636639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 28 Yes

Popular Name: 1,3,8-Triazasprio(4.5)decan-4-one, 1-phenyl-8-(5-phenylpentyl)-; 1-Phenyl-8-(5-phenylpentyl)-1,3,8-triazasprio(4.5)decan-4-one; 4-Oxo-1-phenyl-8-(5-phenylpentyl)-1,3,8-triazaspiro(4.5)decane; BRN 0630121; LS-154820 1,3,8-Triazasprio(4.5)decan-4-on…

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Annotations

Vendors

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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) 4.58 12.03 -37.9 2 4 1 37 378.54 7 ↓
Hi High (pH 8-9.5) 4.58 9.78 -6.86 1 4 0 36 377.532 7 ↓

Activity (Go SEA)

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