UCSF

ZINC66322872

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 24 No

CAS Number: 13647-35-3

Other Names:

MODRASTANE

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) 2.56 5.18 -14.37 1 4 0 74 329.44 0

Vendor Notes

Note Type Comments Provided By
Therapy adrenocortical suppressant, antineoplastic, steroid biosynthesis inhibitor SMDC Pharmakon

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

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