UCSF

ZINC03874825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 28 No

CAS Numbers: 76-78-8 , [76-78-8]

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) 0.84 4.74 -21.03 0 6 0 78 388.46 2

Activity (Go SEA)

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