UCSF

ZINC42684205

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 10 Yes

Popular Name: 1-Methyloctahydropyrrolo[3,4-b]pyridine 1-Methyloctahydropyrrolo[3,4-b]p…

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CAS Number: 128740-18-1

Other Names:

MFCD11052331

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) 0.75 1.8 -35.48 2 2 1 20 141.238 0 ↓
Hi High (pH 8-9.5) 0.75 2.44 -28.96 2 2 1 16 141.238 0 ↓
Hi High (pH 8-9.5) 0.75 0.38 -1.57 1 2 0 15 140.23 0 ↓
Mid Mid (pH 6-8) 0.75 3.86 -102.79 3 2 2 21 142.246 0 ↓

Activity (Go SEA)

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