UCSF

ZINC19536295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 Yes

Popular Name: 1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepane 1-[(4-fluorophenyl)methyl]-4-met…

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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) 2.07 6.72 -38.35 1 2 1 8 223.315 2 ↓
Hi High (pH 8-9.5) 2.07 4.89 -3.03 0 2 0 6 222.307 2 ↓
Mid Mid (pH 6-8) 2.07 8.89 -113.59 2 2 2 9 224.323 2 ↓

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