UCSF

ZINC39869557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.06 12.43 -13.64 1 6 0 67 522.671 6
Lo Low (pH 4.5-6) 5.06 14.66 -44.03 2 6 1 68 523.679 6

Activity (Go SEA)

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