UCSF

ZINC53433099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 21 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) 2.24 7.56 -110.9 3 4 2 40 294.439 8
Hi High (pH 8-9.5) 2.24 6.68 -33.47 2 4 1 35 293.431 8
Mid Mid (pH 6-8) 2.24 5.22 -35.92 2 4 1 38 293.431 8

Activity (Go SEA)

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

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