UCSF

ZINC95883245

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 14 Yes

Other Names:

MFCD00462173

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) 1.16 4.27 -50.02 3 2 1 41 189.282 2
Hi High (pH 8-9.5) 1.16 3.88 -9.83 2 2 0 39 188.274 2

Activity (Go SEA)

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

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