UCSF

ZINC58548668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 39 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) 5.61 10.36 -38.54 3 10 0 127 523.597 6
Hi High (pH 8-9.5) 6.07 9.04 -65.66 2 10 -1 130 522.589 6

Activity (Go SEA)

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

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