UCSF

ZINC19398736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) 2.34 4.71 -52.72 4 3 1 57 281.257 3
Hi High (pH 8-9.5) 2.34 4.32 -9 3 3 0 55 280.249 3

Activity (Go SEA)

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