UCSF

ZINC42765927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) -0.43 4.04 -38.1 3 5 1 60 276.426 9
Hi High (pH 8-9.5) -0.43 2.44 -13.18 2 5 0 59 275.418 9

Activity (Go SEA)

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