UCSF

ZINC05382901

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 31 No

CAS Number: 545-47-1

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) 8.29 11.98 -1.13 1 1 0 20 426.729 1

Vendor Notes

Note Type Comments Provided By
therap antineoplastic MicroSource Spectrum

Activity (Go SEA)

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