UCSF

ZINC19864196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) -0.47 0.63 -62.84 3 5 1 72 212.273 4
Hi High (pH 8-9.5) -0.47 -0.88 -20.52 2 5 0 67 211.265 4

Activity (Go SEA)

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