UCSF

ZINC49530723

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 21 Yes

Popular Name: 2-[[[(1S)-1-(2-thienyl)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S)-1-(2-thienyl)propyl]am…

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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) 3.01 5.51 -21.39 2 4 0 58 299.399 5 ↓
Mid Mid (pH 6-8) 3.47 4.86 -44.27 2 4 0 65 299.399 5 ↓
Mid Mid (pH 6-8) 3.01 7.44 -46.37 3 4 1 62 300.407 5 ↓

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Rings

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

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