UCSF

ZINC05273666

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 23 No

Popular Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant 1-(3-hydroxy-10,13-dimethyl-2,3,…

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Annotations

Vendors

    None

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) 4.17 -0.09 -5.44 1 2 0 37 318.501 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50573-2-O Xenopus Laevis (cluster #2 Of 2), Other Other 890 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50573 Z50573 Xenopus Laevis 70 0.44 Functional ≤ 10μM

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