UCSF

ZINC00170333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

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) -1.54 -3.67 -43.67 4 4 0 87 181.191 3

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
UniProt Database Links CHSAD_CHOCO; TALY_RALME; TAM_CHOCO; TAM_MYXFU; TAM_MYXSM; TAM_STRGL; THAL_CHOCO ChEBI
Warnings IRRITANT Matrix Scientific
UniProt Database Links TALY_RALME; TAM_CHOCO; TAM_MYXFU; TAM_MYXSM; TAM_STRGL ChEBI

Activity (Go SEA)

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

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