UCSF

ZINC09086116

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 36 No

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) 2.51 8.1 -49.58 2 9 1 99 497.568 9
Mid Mid (pH 6-8) 1.92 8.91 -57.32 1 9 1 96 497.568 9

Activity (Go SEA)

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