UCSF

ZINC01529525

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 Yes

Popular Name: 5-hydroxypentanoic acid 5-hydroxypentanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1240528-38-4 , 13392-69-3 , 37435-69-1

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) -0.03 -1.88 -45.71 1 3 -1 60 117.124 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 137 - 139 Enamine Building Blocks
MP 137...139 Enamine Building Blocks
MP 172 - 174 Enamine Building Blocks
MP 172...174 Enamine Building Blocks
ALOGPS_SOLUBILITY 2.43e+02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links AHR_ECOLI; YAHK_ECOLI ChEBI
PUBCHEM_PATENT_ID US3981884; US4062800; US4070337; US4070339; US4073745; US4075162; US4076687; US4085089; US4115348; US4127501; US4129723; US4158658; US4159270; US4174321; US4182703; US4187213; US4187229; US4256626; US4271307 IBM Patent Data

Activity (Go SEA)

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

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