UCSF

ZINC37654752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 16 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) 2.14 5.67 -41.02 3 3 1 46 225.356 5
Hi High (pH 8-9.5) 2.14 4.31 -6.92 2 3 0 41 224.348 5

Activity (Go SEA)

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