UCSF

ZINC53373948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-[(3-fluorophenyl)methyl]-N-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) 1.69 6.13 -39.79 2 3 1 26 267.368 7 ↓
Hi High (pH 8-9.5) 1.69 3.8 -4.87 1 3 0 24 266.36 7 ↓
Mid Mid (pH 6-8) 1.69 5.23 -39.94 2 3 1 29 267.368 7 ↓
Lo Low (pH 4.5-6) 1.69 7.54 -120.45 3 3 2 30 268.376 7 ↓

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Rings

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

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