UCSF

ZINC38241206

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 35 No

Other Names:

Epothilone B

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) 3.70 7.9 -17.2 2 7 0 109 507.693 2

Activity (Go SEA)

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