UCSF

ZINC23360421

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 37 Yes

Popular Name: (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-isopropyl-1-(1-propyl-4-piperidyl)pyrrolidine-2-carb (2S,4R)-4-[(9-ethylcarbazol-3-yl…

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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) 4.66 13.84 -107.07 4 6 2 58 505.751 9 ↓
Hi High (pH 8-9.5) 4.66 12.7 -41.64 3 6 1 54 504.743 9 ↓
Lo Low (pH 4.5-6) 4.66 14.58 -106.37 4 6 2 55 505.751 9 ↓
Lo Low (pH 4.5-6) 4.66 13.57 -133.58 4 6 2 58 505.751 9 ↓

Activity (Go SEA)

Rings

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