UCSF

ZINC03977992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 22 No

CAS Number: 57-63-6

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) 3.66 5.81 -5.89 2 2 0 40 296.41 0

Vendor Notes

Note Type Comments Provided By
Therapy estrogen, plus progestogen as oral contraceptive SMDC Pharmakon

Activity (Go SEA)

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