UCSF

ZINC36118971

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[4-(azepane-1-carbonyl)cyclohexyl]methylamino]-4-(4-methyl-1-piperidyl)cyclobut-3-ene-1,2-dione 3-[[4-(azepane-1-carbonyl)cycloh…

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Vendors

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) 0.38 6.86 -32.96 2 6 1 76 416.586 3 ↓
Hi High (pH 8-9.5) 0.38 7.64 -17.89 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.