UCSF

ZINC28604924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2009 28 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) 3.46 9.23 -14.48 1 10 0 143 400.372 6
Hi High (pH 8-9.5) 3.53 8.32 -34.85 0 10 -1 149 399.364 6

Activity (Go SEA)

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