UCSF

ZINC13683046

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 Yes

Popular Name: 2-[[[(2S)-3-[(1R)-1-(4-chlorophenyl)ethoxy]-2-hydroxy-propyl]-methyl-amino]methyl]quinazolin-4-ol 2-[[[(2S)-3-[(1R)-1-(4-chlorophe…

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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) 2.87 5.73 -23.5 2 6 0 78 401.894 8 ↓
Mid Mid (pH 6-8) 2.87 8.26 -54.43 3 6 1 80 402.902 8 ↓
Mid Mid (pH 6-8) 3.33 5.46 -55.76 2 6 0 83 401.894 8 ↓

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

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