UCSF

ZINC39707643

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 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) 3.29 5.54 -29.45 1 4 1 44 341.818 2
Lo Low (pH 4.5-6) 3.29 8.13 -94.97 2 4 2 45 342.826 2

Activity (Go SEA)

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