UCSF

ZINC37321079

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 Yes

Popular Name: (1R,3S)-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]cyclohexanol (1R,3S)-3-[(2-methylimidazo[1,2-…

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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) 1.84 5.28 -49.01 3 4 1 54 260.361 3 ↓
Hi High (pH 8-9.5) 1.84 4.11 -10.88 2 4 0 50 259.353 3 ↓
Lo Low (pH 4.5-6) 1.84 5.72 -99.43 4 4 2 55 261.369 3 ↓

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

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