UCSF

ZINC54904101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 1.81 4.2 -48.63 2 5 1 67 318.488 5
Hi High (pH 8-9.5) 1.81 2.99 -11.55 1 5 0 62 317.48 5

Activity (Go SEA)

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

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