UCSF

ZINC49328836

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) 0.71 10.21 -91.19 2 5 1 64 252.338 6
Mid Mid (pH 6-8) 0.71 9.7 -52.96 1 5 0 62 251.33 6

Activity (Go SEA)

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

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