UCSF

ZINC42432040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 3.00 3.49 -41.32 3 4 1 67 260.342 2
Hi High (pH 8-9.5) 3.00 3.21 -6.38 2 4 0 65 259.334 2

Activity (Go SEA)

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

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