UCSF

ZINC65330866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 38 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) 2.06 10.49 -25.62 0 10 0 98 521.618 8
Lo Low (pH 4.5-6) 2.06 12.78 -66.92 1 10 1 100 522.626 8

Activity (Go SEA)

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

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