UCSF

ZINC65493098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 17 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) 0.09 1.46 -30.5 2 5 1 46 239.343 6
Hi High (pH 8-9.5) 0.09 0.68 -6.98 1 5 0 44 238.335 6
Mid Mid (pH 6-8) 0.09 3.74 -89 3 5 2 47 240.351 6

Activity (Go SEA)

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

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