UCSF

ZINC22767843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 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) 0.15 2.84 -17.73 3 9 0 129 389.437 5
Lo Low (pH 4.5-6) -3.59 3.13 -51.82 4 9 1 131 390.445 5

Activity (Go SEA)

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

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