UCSF

ZINC61363331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: 7-chloro-2-[[[(1S)-1-(3-thienyl)ethyl]amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[[(1S)-1-(3-thienyl)…

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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) 2.85 5.81 -8.05 2 4 0 58 319.817 4 ↓
Hi High (pH 8-9.5) 3.31 3.24 -40.57 1 4 -1 61 318.809 4 ↓
Mid Mid (pH 6-8) 3.31 4.43 -41.69 2 4 0 65 319.817 4 ↓
Mid Mid (pH 6-8) 2.85 6.99 -53.37 3 4 1 62 320.825 4 ↓

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Rings

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

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