UCSF

ZINC67955371

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 22 Yes

Popular Name: (2S)-1-methoxy-3-[methyl-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)amino]propan-2-ol (2S)-1-methoxy-3-[methyl-(4-meth…

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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) 2.45 7.56 -12.39 1 5 0 58 301.39 5 ↓
Lo Low (pH 4.5-6) 2.45 7.87 -30.23 2 5 1 60 302.398 5 ↓
Lo Low (pH 4.5-6) 2.45 7.9 -26.06 2 5 1 60 302.398 5 ↓

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

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