UCSF

ZINC41364451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 23 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) 2.60 8.8 -38.43 2 4 1 46 332.493 9
Hi High (pH 8-9.5) 2.60 6.35 -8.46 1 4 0 45 331.485 9

Activity (Go SEA)

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