UCSF

ZINC04787353

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 24 No

Popular Name: 1-(3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthre 1-(3-hydroxy-10,13,16-trimethyl-…

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Other Names:

A___PH004055

MFCD03939149

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) 4.47 0.36 -4.65 1 2 0 37 330.512 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5693809; US6068830; WO1993023039A1 IBM Patent Data

Activity (Go SEA)

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