UCSF

ZINC20569893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 21 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) 3.94 9.47 -35.55 1 2 1 8 291.434 3
Hi High (pH 8-9.5) 3.94 7.61 -2.46 0 2 0 6 290.426 3

Activity (Go SEA)

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