UCSF

ZINC35017552

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 Yes

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-7,8,8-trimethyl-6H-imidazo[1,5-a]pyrimidine (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 1.21 6.99 -71.65 2 7 0 91 346.362 3 ↓
Mid Mid (pH 6-8) 1.21 3.57 -11.89 2 7 0 87 346.362 3 ↓
Mid Mid (pH 6-8) 1.21 4.5 -56.62 1 7 -1 90 345.354 3 ↓
Mid Mid (pH 6-8) 1.21 6.06 -53.04 3 7 1 89 347.37 3 ↓
Lo Low (pH 4.5-6) 1.28 4.26 -25.39 2 7 0 95 346.362 3 ↓
Lo Low (pH 4.5-6) 1.28 4.81 -97.91 4 7 2 94 348.378 3 ↓
Lo Low (pH 4.5-6) 1.28 6.73 -57.18 3 7 1 97 347.37 3 ↓

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

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