UCSF

ZINC53313232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

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) 0.54 10.77 -49.21 2 8 0 104 409.49 5
Hi High (pH 8-9.5) 0.54 10.8 -47.62 1 8 -1 103 408.482 5

Activity (Go SEA)

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

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