UCSF

ZINC59355925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 20 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) 1.23 4.25 -51.2 4 5 1 83 299.313 9
Hi High (pH 8-9.5) 1.42 1.71 -60.77 3 5 0 89 298.305 9

Activity (Go SEA)

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