UCSF

ZINC19880871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 34 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) 6.35 10.94 -94.09 6 6 2 92 474.686 19
Hi High (pH 8-9.5) 6.35 11.57 -73.56 5 6 1 95 473.678 19

Activity (Go SEA)

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