UCSF

ZINC36119353

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: 3-[[4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylamino]-4-(1-piperidyl)cyclobut-3-e 3-[[4-[(3S,5R)-3,5-dimethylpiper…

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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) 0.35 6.3 -28.79 2 6 1 76 416.586 3 ↓
Mid Mid (pH 6-8) 0.35 6.31 -22.04 1 6 0 79 415.578 3 ↓
Mid Mid (pH 6-8) 0.35 7.07 -22.2 1 6 0 79 415.578 3 ↓

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

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