UCSF

ZINC19995982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 23 No

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) -0.42 4.56 -10.32 1 7 0 69 340.449 6
Mid Mid (pH 6-8) -0.42 6.84 -54.54 2 7 1 70 341.457 6

Activity (Go SEA)

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

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