UCSF

ZINC67460010

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 1.45 4.35 -11 1 8 0 93 371.441 5
Lo Low (pH 4.5-6) 1.45 4.67 -36.33 2 8 1 95 372.449 5

Activity (Go SEA)

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

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