UCSF

ZINC67542030

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: 2-tert-butyl-6-[(7,10-dimethyl-3,7,10-triazaspiro[5.5]undecan-3-yl)methyl]phenol 2-tert-butyl-6-[(7,10-dimethyl-3…

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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) 3.51 6.09 -31.7 2 4 1 31 346.539 3 ↓
Hi High (pH 8-9.5) 3.51 5.86 -36.31 2 4 1 31 346.539 3 ↓
Hi High (pH 8-9.5) 3.51 3.84 -3.27 1 4 0 30 345.531 3 ↓
Lo Low (pH 4.5-6) 3.51 8.37 -97.28 3 4 2 32 347.547 3 ↓

Activity (Go SEA)

Rings

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

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