UCSF

ZINC57861913

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 19 Yes

CAS Number: 110207-44-8

Other Names:

MFCD00237852

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) -2.04 4.54 -51.28 3 5 -1 95 263.317 6

Activity (Go SEA)

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