UCSF

ZINC61322747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 0.44 2.82 -8.08 0 4 0 46 231.299 2
Mid Mid (pH 6-8) 0.44 4.93 -42.18 1 4 1 47 232.307 2

Activity (Go SEA)

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

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