UCSF

ZINC25256043

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.87 8.34 -11.94 1 6 0 73 364.858 6
Hi High (pH 8-9.5) 4.33 7.22 -41.79 0 6 -1 76 363.85 6

Activity (Go SEA)

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