UCSF

ZINC19367672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 No

CAS Numbers: 1506-47-4 , [1506-47-4]

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) -1.04 -3.37 -70.63 3 8 1 100 255.254 3
Mid Mid (pH 6-8) -1.04 -5.69 -16.75 2 8 0 99 254.246 3
Lo Low (pH 4.5-6) -1.04 -1.07 -168.55 4 8 2 101 256.262 3

Vendor Notes

Note Type Comments Provided By
biological_use Cytostatic IBScreen Bioactives

Activity (Go SEA)

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