UCSF

ZINC60286538

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 15 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) 2.39 3.54 -35.23 3 3 1 46 218.361 9
Hi High (pH 8-9.5) 2.39 2.28 -2.32 2 3 0 41 217.353 9

Activity (Go SEA)

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