UCSF

ZINC52371734

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 Yes

Popular Name: (2R)-N2-[(4-bromophenyl)methyl]-N1-cyclopropyl-N2-methyl-butane-1,2-diamine (2R)-N2-[(4-bromophenyl)methyl]-…

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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) 3.57 10.17 -121.57 3 2 2 21 313.283 7 ↓
Hi High (pH 8-9.5) 3.57 7.56 -37.8 2 2 1 20 312.275 7 ↓

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

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