UCSF

ZINC37370719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 0.46 0.88 -38.74 4 6 1 86 270.353 5
Hi High (pH 8-9.5) 0.46 -0.41 -7.42 3 6 0 82 269.345 5

Activity (Go SEA)

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