UCSF

ZINC08121292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 24 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) 3.25 9.23 -58.69 2 5 1 60 331.367 7
Mid Mid (pH 6-8) 3.25 6.98 -14.67 1 5 0 59 330.359 7

Activity (Go SEA)

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