UCSF

ZINC62035156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Popular Name: N-ethyl-4-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]thiadiazol-5-amine N-ethyl-4-[[4-(pyrrolidin-1-ylme…

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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) 2.14 7.65 -100.13 3 5 2 47 311.499 6 ↓
Mid Mid (pH 6-8) 2.14 5.41 -40.4 2 5 1 45 310.491 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.