UCSF

ZINC19291882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 26 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) 3.67 10.46 -48.38 1 4 1 33 357.428 3
Hi High (pH 8-9.5) 3.67 8.09 -6.73 0 4 0 32 356.42 3

Activity (Go SEA)

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