UCSF

ZINC71540431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.81 8.45 -8.74 1 3 0 42 328.481 4
Lo Low (pH 4.5-6) 3.81 8.91 -41.35 2 3 1 43 329.489 4

Activity (Go SEA)

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

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