UCSF

ZINC41056025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.21 8.4 -11.76 2 4 0 62 347.201 2
Hi High (pH 8-9.5) 4.51 8.13 -43.53 1 4 -1 65 346.193 2

Activity (Go SEA)

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

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