UCSF

ZINC19480802

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) -0.52 0.68 -106.32 4 4 2 45 215.341 2
Hi High (pH 8-9.5) -0.52 0.64 -38.34 3 4 1 43 214.333 2

Activity (Go SEA)

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