UCSF

ZINC69134409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) 1.30 5.44 -82.54 3 4 2 38 246.358 2
Hi High (pH 8-9.5) 1.30 3.62 -8.78 1 4 0 33 244.342 2
Mid Mid (pH 6-8) 1.30 4.96 -38.75 2 4 1 37 245.35 2

Activity (Go SEA)

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

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