UCSF

ZINC52440624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 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) 2.74 6.06 -36.71 2 2 1 25 240.754 2
Hi High (pH 8-9.5) 2.74 4.03 -3.56 1 2 0 23 239.746 2

Activity (Go SEA)

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