UCSF

ZINC09970293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 18 Yes

CAS Numbers: 87-89-8 , [87-89-8]

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) -1.02 -6.68 -6.72 6 6 0 121 264.318 0

Activity (Go SEA)

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