UCSF

ZINC67967255

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 11-[(3-allyl-4-allyloxy-phenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(3-allyl-4-allyloxy-phenyl)m…

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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) 3.85 12.08 -107.24 2 4 2 21 385.596 7 ↓
Hi High (pH 8-9.5) 3.85 11.21 -39.35 1 4 1 20 384.588 7 ↓
Hi High (pH 8-9.5) 3.85 9.72 -36.58 1 4 1 20 384.588 7 ↓

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

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