UCSF

ZINC37812248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.31 6.22 -88.74 4 4 2 52 259.438 9
Hi High (pH 8-9.5) 1.31 5.9 -34.56 3 4 1 51 258.43 9

Activity (Go SEA)

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