UCSF

ZINC22751875

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 5.76 11.73 -37.71 2 4 1 37 449.446 8
Mid Mid (pH 6-8) 5.76 11.82 -32.15 2 4 1 37 449.446 8
Mid Mid (pH 6-8) 5.76 9.55 -8.5 1 4 0 36 448.438 8

Activity (Go SEA)

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

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