UCSF

ZINC40099485

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 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) 3.69 9.09 -65.61 1 8 -1 108 514.554 12
Lo Low (pH 4.5-6) 3.69 8.33 -19.41 2 8 0 106 515.562 12

Activity (Go SEA)

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