UCSF

ZINC35180074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 2.66 10.07 -38.93 2 2 1 40 263.364 3
Hi High (pH 8-9.5) 2.66 9.16 -7.48 1 2 0 36 262.356 3

Activity (Go SEA)

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