UCSF

ZINC55420611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 18 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) -0.14 2.31 -34.9 2 5 1 59 266.346 2
Hi High (pH 8-9.5) -0.14 4.62 -45.18 2 5 1 59 266.346 2
Hi High (pH 8-9.5) -0.14 2.34 -12.45 1 5 0 58 265.338 2

Activity (Go SEA)

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

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