UCSF

ZINC15116063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 11 Yes

CAS Numbers: 856214-16-9 , [856214-16-9]

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) 0.26 -1.89 -50.04 2 5 -1 93 154.101 1
Mid Mid (pH 6-8) -0.20 1.08 -78.67 2 5 -1 93 154.101 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.