UCSF

ZINC53661009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 20 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) 0.30 7.58 -111.33 3 5 2 48 282.432 8
Hi High (pH 8-9.5) 0.30 5.35 -44.44 2 5 1 47 281.424 8
Mid Mid (pH 6-8) 0.30 8.05 -169.44 4 5 3 49 283.44 8

Activity (Go SEA)

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

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