UCSF

ZINC16424381

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 39 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) 5.24 14.34 -9.36 2 6 0 65 526.725 8
Lo Low (pH 4.5-6) 5.24 15.99 -44.69 3 6 1 66 527.733 8

Activity (Go SEA)

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