UCSF

ZINC29135369

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 42 No

Popular Name: N'-(4-aminobutyl)-N-[[3,4-bis[[4-(4-aminobutylamino)butylamino]methyl]phenyl]methyl]butane-1,4-diami N'-(4-aminobutyl)-N-[[3,4-bis[[4…

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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) -1.49 3.99 -300.37 17 9 5 167 597.018 33 ↓
Hi High (pH 8-9.5) -1.49 7.1 -643.94 20 9 8 178 600.042 33 ↓
Hi High (pH 8-9.5) -1.49 7.1 -634.4 20 9 8 178 600.042 33 ↓
Mid Mid (pH 6-8) -1.49 8.47 -821.43 21 9 9 183 601.05 33 ↓

Activity (Go SEA)

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