UCSF

ZINC29135132

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 22 Yes

Popular Name: 3-(4-fluorophenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one 3-(4-fluorophenyl)-2-[(1S)-1-(me…

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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) 2.71 8.19 -45.29 2 4 1 52 298.341 3 ↓
Mid Mid (pH 6-8) 2.71 6.81 -8.41 1 4 0 47 297.333 3 ↓

Activity (Go SEA)

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