UCSF

ZINC42717584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) -0.06 4.55 -57.54 2 5 0 74 216.281 7
Hi High (pH 8-9.5) -0.06 2.25 -51.76 1 5 -1 72 215.273 7

Activity (Go SEA)

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