UCSF

ZINC31901229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -1.26 -2.43 -143.15 3 9 -2 165 327.318 7
Lo Low (pH 4.5-6) -0.89 -0.49 -57.81 4 9 -1 158 328.326 6

Activity (Go SEA)

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