UCSF

ZINC37001263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 3.66 7.95 -91.33 4 4 2 50 297.487 6
Hi High (pH 8-9.5) 3.85 5.89 -35.31 3 4 1 56 296.479 6

Activity (Go SEA)

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