UCSF

ZINC43408405

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

Popular Name: 2-(4-propylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(4-propylpiperazin-1-yl)-6,7-d…

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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) 2.54 8.64 -31.15 3 4 1 47 305.471 4 ↓
Hi High (pH 8-9.5) 2.54 6.42 -11.38 2 4 0 45 304.463 4 ↓
Mid Mid (pH 6-8) 2.54 9.06 -85.3 4 4 2 48 306.479 4 ↓
Mid Mid (pH 6-8) 2.54 6.86 -32.82 3 4 1 47 305.471 4 ↓

Activity (Go SEA)

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