UCSF

ZINC03977916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 23 No

CAS Number: 57-83-0

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) 3.81 10.56 -8.49 0 2 0 34 314.469 1
Ref Reference (pH 7) 3.81 10.52 -10.21 0 2 0 34 314.469 1

Vendor Notes

Note Type Comments Provided By
Therapy progestogen SMDC Pharmakon
PUBCHEM_PATENT_ID US4879379 IBM Patent Data

Activity (Go SEA)

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