UCSF

ZINC64624874

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -5.09 -17.37 -55.29 11 11 1 211 341.337 8
Mid Mid (pH 6-8) -5.09 -17.98 -12.97 10 11 0 209 340.329 8
Mid Mid (pH 6-8) -5.09 -17.03 -108.76 12 11 2 212 342.345 8

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CHBF_ECOLI; CHBG_ECOLI; CHBP_VIBFU; CHBP_VIBPR; CHBR_ECOLI; CHB_VIBHA; CHIE_BETVU; CHIP_ECOLI; CHIP_SALTY; CHIQ_ECOLI; CHIQ_SALTY; CHIT1_HUMAN; CHIT1_MOUSE; CHIX_STROI; DIAC1_DICDI; DIAC2_DICDI; DIAC_BOVIN; DIAC_HUMAN; DIAC_MOUSE; DIAC_RAT; HEXO1_ARATH; H ChEBI
Patent Database Links WO2007135114 ChEBI

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

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