UCSF

ZINC19398467

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) 1.52 6.86 -42.43 3 3 1 46 278.416 5
Hi High (pH 8-9.5) 1.52 6.54 -4.38 2 3 0 44 277.408 5

Activity (Go SEA)

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