UCSF

ZINC04212953

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 29 Yes

Popular Name: Dihydrotachysterol Dihydrotachysterol

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CAS Numbers: 67-96-9 , [67-96-9]

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) 7.59 1.92 -1.79 1 1 0 20 398.675 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.25e-04 g/l DrugBank-approved
UniProt Database Links ACKR3_RAT; ACL6B_MOUSE; AFF2_MOUSE; AFF4_MOUSE; ANR17_MOUSE; CBP4A_DICDI; CCM2_MOUSE; CELF1_MOUSE; CF451_DICDI; CISY_ABDS2; CITE2_MOUSE; CLCN3_MOUSE; CO2A1_MOUSE; COE2_MOUSE; CPY1_CONFR; CRY2_CHICK; CSK21_MOUSE; CUBN_RAT; CXCR4_MOUSE; CXXC5_MOUSE; DACH1_M ChEBI
Patent Database Links US2005131005; US2005165039; US2006036098; US2006258661; US2006281761; US2007225229; US2008139630; WO2005004807; WO2005005380; WO2005005606; WO2005009949; WO2005025572; WO2005025579; WO2005044988 ChEBI

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