UCSF

ZINC41292619

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 2.98 9.58 -15.54 0 4 0 38 313.788 3
Lo Low (pH 4.5-6) 2.98 10.15 -33.22 1 4 1 39 314.796 3

Activity (Go SEA)

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