UCSF

ZINC37984675

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 2.35 4.57 -46.04 3 4 1 55 347.273 10
Hi High (pH 8-9.5) 2.35 3.46 -6.6 2 4 0 51 346.265 10

Activity (Go SEA)

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