UCSF

ZINC62926529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) -0.99 1.59 -45.42 3 8 0 123 240.219 2
Mid Mid (pH 6-8) -0.54 -0.56 -89.2 1 8 -2 125 238.203 2
Mid Mid (pH 6-8) -0.99 1.1 -42.04 2 8 -1 122 239.211 2

Activity (Go SEA)

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

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