UCSF

ZINC64539498

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 No

Popular Name: N-[(1S,3S)-3-[bis(2-chloroethyl)amino]-3-oxo-2-oxa-4-aza-3$l^{5}-phosphacyclohex-1-yl]-2-methyl-2-(2 N-[(1S,3S)-3-[bis(2-chloroethyl)…

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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) 2.52 7.67 -24.35 2 9 0 116 467.29 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50418-2-O Trypanosoma Brucei (cluster #2 Of 6), Other Other 1800 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50418 Z50418 Trypanosoma Brucei 1800 0.28 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.