UCSF

ZINC19938904

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 Yes

Popular Name: (2S,4R)-4-[(2,5-dimethylphenyl)methylamino]-N-(2-methoxyethyl)-1-(1-propyl-4-piperidyl)pyrrolidine-2 (2S,4R)-4-[(2,5-dimethylphenyl)m…

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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) 2.85 8.67 -100.12 4 6 2 63 432.653 10 ↓
Hi High (pH 8-9.5) 2.85 7.69 -39.98 3 6 1 58 431.645 10 ↓
Lo Low (pH 4.5-6) 2.85 9.23 -106.73 4 6 2 59 432.653 10 ↓

Activity (Go SEA)

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