UCSF

ZINC39899087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 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) 6.14 10.47 -12.04 2 6 0 78 514.796 5
Mid Mid (pH 6-8) 6.14 11.24 -44.83 1 6 -1 81 513.788 5

Activity (Go SEA)

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