UCSF

ZINC49235508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 21 Yes

Popular Name: 2-[[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S)-2-imidazol-1-yl-1-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) 0.66 6.38 -42.52 3 6 1 77 284.343 5 ↓
Hi High (pH 8-9.5) 0.66 5.86 -13.69 2 6 0 76 283.335 5 ↓
Hi High (pH 8-9.5) 1.12 3.3 -52.75 1 6 -1 79 282.327 5 ↓
Mid Mid (pH 6-8) 1.12 4.54 -55.01 2 6 0 83 283.335 5 ↓
Lo Low (pH 4.5-6) 0.66 7.62 -118.14 4 6 2 81 285.351 5 ↓

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

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