UCSF

ZINC12677856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 31 No

Popular Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-d 3-[[4-(4-fluorophenyl)sulfonyl-1…

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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) 0.92 4.84 -56.24 2 9 1 94 454.548 4 ↓
Mid Mid (pH 6-8) 0.55 3.39 -46.09 1 9 0 101 453.54 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.