UCSF

ZINC37820592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.72 6.73 -35.83 2 5 1 55 297.419 8
Hi High (pH 8-9.5) 0.72 5.22 -11.92 1 5 0 51 296.411 8

Activity (Go SEA)

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