UCSF

ZINC37982052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 3.71 6.75 -7.51 1 4 0 66 371.021 2
Hi High (pH 8-9.5) 3.78 5.22 -27.5 0 4 -1 72 370.013 2

Activity (Go SEA)

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