UCSF

ZINC37477256

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 Yes

Popular Name: N-butyl-N'-isopropyl-N-methyl-ethane-1,2-diamine N-butyl-N'-isopropyl-N-methyl-et…

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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) 2.24 3.93 -33.72 2 2 1 20 173.324 7 ↓
Mid Mid (pH 6-8) 2.24 6.26 -106.42 3 2 2 21 174.332 7 ↓
Mid Mid (pH 6-8) 2.24 5.07 -32.33 2 2 1 16 173.324 7 ↓

Activity (Go SEA)

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