UCSF

ZINC43967577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.91 4.9 -92.33 3 5 2 43 297.443 3
Hi High (pH 8-9.5) 0.91 2.49 -37.78 2 5 1 42 296.435 3

Activity (Go SEA)

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