UCSF

ZINC16601557

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 31 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) 5.53 11.91 -15.83 1 5 0 60 471.775 6
Lo Low (pH 4.5-6) 5.53 12.17 -44.08 2 5 1 61 472.783 6

Activity (Go SEA)

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