UCSF

ZINC00242364

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2-(ethylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(ethylsulfanyl)-6,7-dihydro-5H…

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Other Names:

MFCD00487187

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) 2.59 1.22 -6.51 0 2 0 37 204.298 2 ↓
Lo Low (pH 4.5-6) 2.59 1.32 -32.35 1 2 1 38 205.306 2 ↓

Activity (Go SEA)

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