UCSF

ZINC60250967

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 13 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) 0.45 6.07 -88.6 3 3 2 36 181.283 2
Mid Mid (pH 6-8) 0.45 5.56 -47.85 2 3 1 34 180.275 2

Activity (Go SEA)

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