UCSF

ZINC69913266

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.31 8.05 -15.77 1 6 0 58 386.521 4
Mid Mid (pH 6-8) 3.31 10.07 -44.11 2 6 1 59 387.529 4

Activity (Go SEA)

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