UCSF

ZINC95627844

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2014 44 No

Other Names:

Dibenzothioline

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.44 12.33 -19.02 2 11 0 158 637.736 18
Hi High (pH 8-9.5) 3.62 10.15 -54.41 1 11 -1 164 636.728 18

Activity (Go SEA)

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

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