UCSF

ZINC41366399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 25 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) 3.38 10.29 -9.35 0 4 0 42 332.403 6
Lo Low (pH 4.5-6) 3.38 10.76 -38.26 1 4 1 44 333.411 6

Activity (Go SEA)

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