UCSF

ZINC20872478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 1.78 5.29 -34.55 3 5 1 64 295.403 9
Hi High (pH 8-9.5) 1.78 3.79 -12.38 2 5 0 60 294.395 9

Activity (Go SEA)

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