UCSF

ZINC67514783

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 21 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) 0.32 1.12 -91.67 3 7 0 112 332.403 4
Hi High (pH 8-9.5) 0.32 -0.27 -62.86 2 7 -1 108 331.395 4

Activity (Go SEA)

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

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