UCSF

ZINC04538008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 21 No

Popular Name: EPITESTOSTERONE EPITESTOSTERONE

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CAS Number: 481-30-1

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) 3.25 7 -8.22 1 2 0 37 288.431 0 ↓
Ref Reference (pH 7) 3.99 5.09 -4.16 2 2 0 40 288.431 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.33e-02 g/l DrugBank-experimental
UniProt Database Links AK1CL_MOUSE ChEBI
therap androgen MicroSource Spectrum

Activity (Go SEA)

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