UCSF

ZINC04655341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 29 No

CAS Number: 125-10-0

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) 2.11 1.98 -16.59 1 6 0 97 400.471 4

Vendor Notes

Note Type Comments Provided By
Purity C.P2000 APIChem

Activity (Go SEA)

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