UCSF

ZINC55614986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 22 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) 2.02 2.65 -51.38 2 5 -1 91 341.409 4
Lo Low (pH 4.5-6) 2.02 2.62 -16.35 3 5 0 89 342.417 4

Activity (Go SEA)

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

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