UCSF

ZINC04175498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 21 Yes

CAS Numbers: 476-28-8 , [476-28-8]

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) 0.54 1.45 -45.51 3 5 1 63 288.323 0
Mid Mid (pH 6-8) 0.54 -1.22 -7.61 2 5 0 62 287.315 0

Vendor Notes

Note Type Comments Provided By
Therapy antimitotic; highly toxic SMDC MicroSource

Activity (Go SEA)

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