UCSF

ZINC65501068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: 2-[2-[(1R,5S)-9-hydroxy-1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane-7-carbonyl]anilino]acetic 2-[2-[(1R,5S)-9-hydroxy-1,3,5-tr…

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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) -0.62 6.68 -44.82 3 7 0 97 361.442 4 ↓
Lo Low (pH 4.5-6) -0.62 4.7 -31.37 4 7 1 94 362.45 4 ↓

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Rings

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

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