UCSF

ZINC15206143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 21 Yes

CAS Numbers: 131-48-6 , [131-48-6]

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) -4.13 -8.71 -51.25 6 10 -1 180 308.263 5

Activity (Go SEA)

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