UCSF

ZINC03978804

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 32 No

CAS Number: 472-15-1

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) 6.80 11.71 -52.33 1 3 -1 60 441.676 2
Lo Low (pH 4.5-6) 6.80 9.83 -5.84 2 3 0 58 442.684 2

Vendor Notes

Note Type Comments Provided By
Therapy antineoplastic SMDC MicroSource

Activity (Go SEA)

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