UCSF

ZINC58310811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 Yes

Popular Name: 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[4-[(2-fluorophenyl)methyl]-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) 2.51 10.18 -86.83 2 5 2 43 374.485 4 ↓
Hi High (pH 8-9.5) 2.51 7.97 -13.66 0 5 0 41 372.469 4 ↓
Hi High (pH 8-9.5) 2.51 10.31 -43.1 1 5 1 42 373.477 4 ↓
Hi High (pH 8-9.5) 2.51 7.85 -31.93 1 5 1 42 373.477 4 ↓
Lo Low (pH 4.5-6) 2.51 12.06 -206.83 3 5 3 44 375.493 4 ↓

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Rings

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

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