UCSF

ZINC43894942

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 13 Yes

Popular Name: (2S)-N1-[(1S)-1-cyclopropylethyl]-N2-ethyl-N1-methyl-propane-1,2-diamine (2S)-N1-[(1S)-1-cyclopropylethyl…

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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) 2.03 6.9 -106.59 3 2 2 21 186.343 6 ↓
Mid Mid (pH 6-8) 2.03 4.94 -30.72 2 2 1 20 185.335 6 ↓
Mid Mid (pH 6-8) 2.03 5.82 -27.98 2 2 1 16 185.335 6 ↓

Activity (Go SEA)

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