UCSF

ZINC60237361

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 18 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) 0.31 3.2 -44.06 4 5 1 77 256.37 6
Hi High (pH 8-9.5) 0.31 2.52 -16.82 3 5 0 75 255.362 6

Activity (Go SEA)

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