UCSF

ZINC69894815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: 2-[(1S)-1-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]-3H-quinazolin-4-one 2-[(1S)-1-[2-(4-methylpyrazol-1-…

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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) 1.66 4.86 -11.81 2 6 0 76 297.362 5 ↓
Mid Mid (pH 6-8) 1.66 6.04 -52.7 3 6 1 80 298.37 5 ↓

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

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