UCSF

ZINC37004795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.70 -0.55 -50.28 4 6 1 94 278.398 5
Hi High (pH 8-9.5) -0.70 -0.79 -13.57 3 6 0 93 277.39 5

Activity (Go SEA)

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