UCSF

ZINC58548573

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 45 No

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) 6.58 11.71 -10.74 3 7 0 129 618.811 12
Hi High (pH 8-9.5) 6.58 12.66 -12.69 2 7 0 132 617.803 12

Activity (Go SEA)

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

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