UCSF

ZINC44380608

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 15 Yes

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

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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) 3.53 6.56 -36.36 2 2 1 20 215.405 11 ↓
Mid Mid (pH 6-8) 3.53 8.69 -112.41 3 2 2 21 216.413 11 ↓
Mid Mid (pH 6-8) 3.53 7.35 -32.48 2 2 1 16 215.405 11 ↓

Activity (Go SEA)

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