UCSF

ZINC00895590

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 9 Yes

CAS Number: 4298-05-9

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) -2.64 -4.23 -44.23 3 4 0 76 131.131 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CATLL_FASHE; CO1A1_BOVIN; CO1A1_CANFA; CO1A1_CHICK; CO1A1_HUMAN; CO1A1_MOUSE; CO1A1_RAT; CO2A1_BOVIN; CO2A1_HUMAN; CO2A1_MAMAE; CO2A1_MOUSE; CO2A1_RAT; CO5A1_CRILO; CO5A1_MOUSE; CO5A1_RAT; CO5A2_HUMAN; P3H1_CHICK; P3H1_HUMAN; P3H1_MOUSE; P3H1_RAT; P3H2_CH ChEBI

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

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