UCSF

ZINC04264921

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 23 No

Popular Name: (3alpha,5beta,20alpha)-Pregnane-3,20-diol; 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane; 3alpha,20alpha-Dihydroxy-5beta-pregnane; 5-beta-Pregnane, 3-alpha,20-alpha-dihydroxy-; 5-beta-Pregnane-3-alpha, 20-alpha-diol; 5-beta-Pregnane-3-alpha,20-alpha-diol; 5b (3alpha,5beta,20alpha)-Pregnane-…

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Other Names:

MFCD00066871

MFCD00669030

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) 4.36 -2.11 -2.46 2 2 0 40 320.517 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 183 - 185 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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