UCSF

ZINC37835705

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (1S,2R)-2-[methyl-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[methyl-[2-[methyl-(1-…

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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) 0.46 6.48 -63.1 1 6 0 68 297.399 6 ↓
Lo Low (pH 4.5-6) 0.46 6.41 -77.16 1 6 0 68 297.399 6 ↓
Lo Low (pH 4.5-6) 0.46 4.48 -47.26 2 6 1 65 298.407 6 ↓
Lo Low (pH 4.5-6) 0.46 8.88 -113.82 2 6 1 69 298.407 6 ↓

Activity (Go SEA)

Rings

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