UCSF

ZINC19483219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) -0.32 3.26 -41.52 4 3 1 57 207.297 5
Hi High (pH 8-9.5) -0.32 2.88 -9.48 3 3 0 55 206.289 5

Activity (Go SEA)

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