UCSF

ZINC05575803

Annotations

Vendors

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) -0.61 -0.02 -129.7 0 4 -2 72 124.032 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.90e+01 g/l DrugBank-experimental
UniProt Database Links CATL1_CHLAE; CATL1_HUMAN; CATL1_MOUSE; CATL1_RAT; CYP4_CAEEL; DHX16_CAEEL; DXR1_BACAN; DXR1_BACCR; DXR1_BACCZ; DXR1_BACHK; DXR2_BACAN; DXR2_BACCR; DXR2_BACCZ; DXR2_BACHK; DXR_ACAM1; DXR_ACIAD; DXR_ACIB3; DXR_ACIB5; DXR_ACIBC; DXR_ACIBS; DXR_ACIBT; DXR_ACI ChEBI

Activity (Go SEA)

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

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