UCSF

ZINC04026438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 23 No

CAS Number: 72-33-3

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) 4.20 0.95 -5.85 1 2 0 29 310.437 1

Vendor Notes

Note Type Comments Provided By
Therapy estrogen, with progesterone as oral contraceptive SMDC Pharmakon

Activity (Go SEA)

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