UCSF

ZINC09086221

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) 2.40 6.71 -52.21 3 9 1 110 497.568 9
Mid Mid (pH 6-8) 1.82 7.39 -60.09 2 9 1 107 497.568 9

Activity (Go SEA)

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