UCSF

ZINC54792022

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 14 Yes

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) 1.14 6.37 -38.67 2 4 1 46 193.274 4
Hi High (pH 8-9.5) 1.14 5.07 -7.01 1 4 0 41 192.266 4

Activity (Go SEA)

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

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