UCSF

ZINC42457588

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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 3.27 -38.49 3 5 1 60 274.41 5
Hi High (pH 8-9.5) -0.47 1.89 -12.8 2 5 0 59 273.402 5

Activity (Go SEA)

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