UCSF

ZINC67457854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: 4-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecane-10-carbonyl)benzenesulfonamide 4-(3,7-dimethyl-3,7,10-triazaspi…

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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) -0.02 1.5 -43.88 3 7 1 88 367.495 2 ↓
Lo Low (pH 4.5-6) -0.02 3.71 -113.5 4 7 2 89 368.503 2 ↓

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Rings

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

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