UCSF

ZINC34237065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 20 No

CAS Number: 85-31-4

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) -0.95 -3.08 -60.1 5 9 -1 140 298.304 2
Mid Mid (pH 6-8) -1.67 -2.66 -27.21 6 9 0 142 299.312 2

Vendor Notes

Note Type Comments Provided By
therap antineoplastic MicroSource Spectrum

Activity (Go SEA)

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