UCSF

ZINC42259740

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 Yes

Popular Name: 2-[(2-imidazol-1-ylethylamino)methyl]-3H-quinazolin-4-one 2-[(2-imidazol-1-ylethylamino)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) 0.33 5.19 -48.63 3 6 1 77 270.316 5 ↓
Hi High (pH 8-9.5) 0.79 2.61 -47.72 1 6 -1 79 268.3 5 ↓
Hi High (pH 8-9.5) 0.79 3.96 -56.87 2 6 0 83 269.308 5 ↓
Hi High (pH 8-9.5) 0.33 5.18 -14.32 2 6 0 76 269.308 5 ↓
Mid Mid (pH 6-8) 0.33 7.04 -121.95 4 6 2 81 271.324 5 ↓
Mid Mid (pH 6-8) 0.79 4.47 -96.07 3 6 1 85 270.316 5 ↓

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

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