UCSF

ZINC98230486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 36 Yes

CAS Numbers: 509-20-6 , [509-20-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.45 -3.53 -30.37 6 10 1 143 516.652 6
Hi High (pH 8-9.5) -0.45 -4.44 -7.33 5 10 0 141 515.644 6

Activity (Go SEA)

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

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