UCSF

ZINC36782468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.05 3.89 -45.68 3 5 1 64 249.338 4
Hi High (pH 8-9.5) -0.05 2.51 -11.16 2 5 0 59 248.33 4

Activity (Go SEA)

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