UCSF

ZINC22752536

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) 4.40 7.75 -53.77 1 6 -1 90 492.674 8
Lo Low (pH 4.5-6) 4.40 7.72 -19.31 2 6 0 88 493.682 8

Activity (Go SEA)

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

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