UCSF

ZINC05751278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 24 No

Popular Name: 1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(7-chloro-4-quinolinyl)-, dihydrochloride; 4-((4-(Bis(2-chloroethyl)amino)-1-methylbutyl)amino)-7-chloroquinoline dihydrochloride; 4-(4-(Di-(2-chloroethyl)-amino)-1-methyl-butylamino)-7-chloroquinoline; Chlo 1,4-Pentanediamine, N1,N1-bis(2-…

Find On: PubMed — Wikipedia — Google

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) 5.46 11.77 -93.79 3 3 2 31 390.786 10 ↓
Hi High (pH 8-9.5) 5.46 9.2 -8.13 1 3 0 28 388.77 10 ↓
Mid Mid (pH 6-8) 5.46 9.61 -32.34 2 3 1 29 389.778 10 ↓

Activity (Go SEA)

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