UCSF

ZINC55471755

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 26 Yes

Popular Name: (2R)-1-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-3-(4-thiazol-2-ylpiperazin-1-yl)p (2R)-1-[[(1R,5S)-7,7-dimethyl-4-…

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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) 2.95 6.23 -7.76 1 5 0 49 377.554 7 ↓
Lo Low (pH 4.5-6) 2.95 8.89 -93.87 3 5 2 51 379.57 7 ↓
Lo Low (pH 4.5-6) 2.95 6.67 -28.64 2 5 1 50 378.562 7 ↓
Lo Low (pH 4.5-6) 2.95 8.45 -44.18 2 5 1 50 378.562 7 ↓

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Rings

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

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