UCSF

ZINC17107358

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 34 Yes

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) -2.17 6.88 -128.68 6 13 -1 201 472.482 9
Lo Low (pH 4.5-6) -2.17 4.86 -82.13 7 13 0 198 473.49 9
Lo Low (pH 4.5-6) -2.17 1.49 -89.35 6 13 -1 197 472.482 9

Activity (Go SEA)

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