UCSF

ZINC53374033

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Substance Information

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

Popular Name: N'-[(3-fluorophenyl)methyl]-N'-methyl-N-[(1S,3S)-3-methylcyclohexyl]ethane-1,2-diamine N'-[(3-fluorophenyl)methyl]-N'-m…

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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) 3.58 9.95 -126.14 3 2 2 21 280.431 6 ↓
Hi High (pH 8-9.5) 3.58 8.78 -39.48 2 2 1 16 279.423 6 ↓
Mid Mid (pH 6-8) 3.58 7.62 -41.55 2 2 1 20 279.423 6 ↓

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

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