UCSF

ZINC11679960

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2008 29 No

CAS Number: 2998-57-4

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) 4.74 -0.13 -8.76 1 4 0 50 440.411 6

Vendor Notes

Note Type Comments Provided By
therap antineoplastic MicroSource Pharmakon

Activity (Go SEA)

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