UCSF

ZINC62826593

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 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) 1.82 2.88 -117.58 0 7 -2 101 363.189 4
Mid Mid (pH 6-8) 1.82 2.42 -41.73 1 7 -1 99 364.197 4

Activity (Go SEA)

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

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