UCSF

ZINC43412604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.44 4.92 -52.63 2 6 0 87 265.313 5
Hi High (pH 8-9.5) 0.44 2.53 -47.62 1 6 -1 85 264.305 5

Activity (Go SEA)

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