UCSF

ZINC20163793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.19 8.76 -40.33 1 5 1 47 346.476 5
Hi High (pH 8-9.5) 2.19 6.22 -9.87 0 5 0 46 345.468 5

Activity (Go SEA)

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