UCSF

ZINC59539059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 17 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) 1.57 6.01 -43.23 3 3 1 48 235.351 6
Hi High (pH 8-9.5) 1.57 5.68 -9 2 3 0 46 234.343 6

Activity (Go SEA)

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