UCSF

ZINC03881360

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 21 No

Popular Name: 17-EPIESTRIOL 17-EPIESTRIOL

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CAS Number: 1228-72-4

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) 2.51 2.65 -6.17 3 3 0 61 288.387 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.19e-01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US3939186; US3940475; US4081461; US4082779; US4097586; US5977319; US6068830; WO1995002424A1; WO1999028496A1 IBM Patent Data
PUBCHEM_PATENT_ID US3962416 IBM Patent Data

Activity (Go SEA)

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