UCSF

ZINC42916185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.98 5.96 -42.92 3 3 1 46 276.331 5
Hi High (pH 8-9.5) 2.98 5.71 -4.7 2 3 0 44 275.323 5

Activity (Go SEA)

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