UCSF

ZINC41584188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 6.07 11.45 -44.63 2 6 1 73 438.544 9
Mid Mid (pH 6-8) 6.07 11.98 -29.63 1 6 0 76 437.536 9

Activity (Go SEA)

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