UCSF

ZINC52157615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 26 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) 2.26 10.75 -51.73 1 5 1 45 378.562 5
Hi High (pH 8-9.5) 2.26 8.56 -18.5 0 5 0 44 377.554 5

Activity (Go SEA)

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