UCSF

ZINC41351850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 21 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) 2.56 7.56 -38.33 2 4 1 46 310.487 7
Hi High (pH 8-9.5) 2.56 5.4 -7.14 1 4 0 45 309.479 7

Activity (Go SEA)

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