UCSF

ZINC61363314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 Yes

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

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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) 2.19 4.81 -19.5 2 4 0 58 285.372 4 ↓
Mid Mid (pH 6-8) 2.19 6.48 -52.72 3 4 1 62 286.38 4 ↓

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

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