UCSF

ZINC98230525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 34 Yes

CAS Numbers: 17629-30-0 , [17629-30-0]

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) -4.90 -21.95 -20.12 11 16 0 269 504.438 8

Activity (Go SEA)

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

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