UCSF

ZINC49545225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 2.33 9.87 -38.73 1 7 1 66 372.474 3
Hi High (pH 8-9.5) 2.33 7.96 -9.67 0 7 0 65 371.466 3

Activity (Go SEA)

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