UCSF

ZINC37852051

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) 3.37 6.18 -40.03 3 3 1 46 298.834 7
Hi High (pH 8-9.5) 3.37 4.82 -5.28 2 3 0 41 297.826 7

Activity (Go SEA)

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