UCSF

ZINC20563547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 17 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) 4.34 7.53 -30.75 2 2 1 26 249.765 4
Hi High (pH 8-9.5) 4.34 7.13 -6.81 1 2 0 25 248.757 4

Activity (Go SEA)

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