UCSF

ZINC42409736

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 Yes

Popular Name: N',N'-diisobutyl-N-propyl-ethane-1,2-diamine N',N'-diisobutyl-N-propyl-ethane…

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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) 2.90 8.51 -111.06 3 2 2 21 216.413 9 ↓
Mid Mid (pH 6-8) 2.90 6.69 -36.92 2 2 1 20 215.405 9 ↓
Mid Mid (pH 6-8) 2.90 7.17 -30.46 2 2 1 16 215.405 9 ↓

Activity (Go SEA)

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