UCSF

ZINC20225575

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 Yes

Popular Name: (1S)-N-(cyclopropylmethyl)-N-methyl-1-(p-tolyl)ethane-1,2-diamine (1S)-N-(cyclopropylmethyl)-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) 2.05 7.31 -122.29 4 2 2 32 220.36 5 ↓
Mid Mid (pH 6-8) 2.05 5.36 -45.76 3 2 1 31 219.352 5 ↓

Activity (Go SEA)

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