UCSF

ZINC52813294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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 6.33 -35.44 3 4 1 67 217.296 4
Mid Mid (pH 6-8) 0.99 5.64 -7.94 2 4 0 66 216.288 4

Activity (Go SEA)

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

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