UCSF

ZINC42404117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 13 Yes

Popular Name: N'-methyl-N-pentyl-N-propyl-ethane-1,2-diamine N'-methyl-N-pentyl-N-propyl-etha…

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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) 2.95 7.09 -108.49 3 2 2 21 188.359 9 ↓
Hi High (pH 8-9.5) 2.95 3.56 -0.73 1 2 0 15 186.343 9 ↓
Mid Mid (pH 6-8) 2.95 5.02 -36.19 2 2 1 20 187.351 9 ↓
Mid Mid (pH 6-8) 2.95 5.65 -31.84 2 2 1 16 187.351 9 ↓

Activity (Go SEA)

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