UCSF

ZINC16605695

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 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) 2.88 8.91 -16.25 1 10 0 124 459.462 8
Lo Low (pH 4.5-6) 2.88 9.19 -54.51 2 10 1 125 460.47 8

Activity (Go SEA)

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