UCSF

ZINC22121421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 23 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) 5.01 10.34 -43.31 2 2 1 20 329.895 4
Hi High (pH 8-9.5) 5.01 8.92 -2.15 1 2 0 15 328.887 4

Activity (Go SEA)

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