UCSF

ZINC30724344

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) 5.94 17.05 -60.45 3 9 0 142 592.696 7
Lo Low (pH 4.5-6) 5.94 15.08 -32.37 4 9 1 139 593.704 7
Lo Low (pH 4.5-6) 5.94 15.05 -32.61 4 9 1 139 593.704 7
Lo Low (pH 4.5-6) 5.94 15.76 -80.8 5 9 2 141 594.712 7

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CHLB_ACAM1; CHLB_ACUOB; CHLB_ADICA; CHLB_ANAVT; CHLB_ANGEV; CHLB_ANTFO; CHLB_ARAHE; CHLB_AUXPR; CHLB_BAZTR; CHLB_CHAGL; CHLB_CHAVU; CHLB_CHLAP; CHLB_CHLAT; CHLB_CHLMO; CHLB_CHLPT; CHLB_CHLRE; CHLB_CHLVU; CHLB_CIBSC; CHLB_CYAA5; CHLB_CYACO; CHLB_CYAP4; CHL ChEBI
UniProt Database Links PAO_ARATH; PPD_ARATH; PPD_RAPSA; RCCR_ARATH; RCCR_HORVU; SGRW_PEA ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 2500 0.18 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 2500 0.18 Functional ≤ 10μM

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

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