UCSF

ZINC23362508

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 32 Yes

Popular Name: (2S,4R)-N-isopropyl-4-[(4-methoxy-2,3-dimethyl-phenyl)methylamino]-1-(1-propyl-4-piperidyl)pyrrolidi (2S,4R)-N-isopropyl-4-[(4-methox…

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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) 3.52 9.65 -104.1 4 6 2 63 446.68 9 ↓
Hi High (pH 8-9.5) 3.52 8.68 -40.66 3 6 1 58 445.672 9 ↓
Lo Low (pH 4.5-6) 3.52 10.57 -105.27 4 6 2 59 446.68 9 ↓
Lo Low (pH 4.5-6) 3.52 9.39 -129.96 4 6 2 63 446.68 9 ↓

Activity (Go SEA)

Rings

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