UCSF

ZINC62839281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 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) 0.38 -0.04 -74.66 4 6 0 101 281.337 6
Hi High (pH 8-9.5) 0.38 -0.48 -52.59 3 6 -1 99 280.329 6
Mid Mid (pH 6-8) 0.38 -0.04 -54.63 5 6 1 99 282.345 6

Activity (Go SEA)

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

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