UCSF

ZINC37818863

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.34 7.84 -38.69 3 3 1 48 275.416 5
Hi High (pH 8-9.5) 1.34 7.51 -6.19 2 3 0 46 274.408 5

Activity (Go SEA)

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