UCSF

ZINC67974028

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: 3-[(4-isopropoxy-3-methoxy-phenyl)methyl]-7,10-dimethyl-3,7,10-triazaspiro[5.5]undecane 3-[(4-isopropoxy-3-methoxy-pheny…

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Download: MOL2 SDF SMILES Flexibase

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) 2.51 6.99 -39.01 1 5 1 29 362.538 5 ↓
Hi High (pH 8-9.5) 2.51 7.2 -37.45 1 5 1 29 362.538 5 ↓
Hi High (pH 8-9.5) 2.51 5.29 -6.06 0 5 0 28 361.53 5 ↓
Hi High (pH 8-9.5) 2.51 9.47 -100.43 2 5 2 31 363.546 5 ↓
Lo Low (pH 4.5-6) 2.51 9.25 -111.65 2 5 2 31 363.546 5 ↓

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Rings

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

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