UCSF

ZINC37081084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

Popular Name: (1S)-N'-cyclopropyl-N'-methyl-1-(4-phenylphenyl)ethane-1,2-diamine (1S)-N'-cyclopropyl-N'-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) 1.62 9.29 -36.66 3 2 1 30 267.396 5 ↓
Mid Mid (pH 6-8) 1.62 9.62 -126.16 4 2 2 32 268.404 5 ↓

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

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