UCSF

ZINC63944397

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 No

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) 1.03 1.48 -7.69 1 8 0 103 332.36 7
Hi High (pH 8-9.5) 1.10 -0.83 -36.9 0 8 -1 110 331.352 7

Activity (Go SEA)

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

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