UCSF

ZINC48949756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 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) 1.43 6.89 -55.95 1 6 0 72 293.367 5
Hi High (pH 8-9.5) 1.43 6.77 -55.03 0 6 -1 70 292.359 5

Activity (Go SEA)

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

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