UCSF

ZINC40095136

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 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) 1.94 5.75 -60.31 1 10 -1 145 467.454 9
Lo Low (pH 4.5-6) 1.94 5 -14.57 2 10 0 142 468.462 9

Activity (Go SEA)

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