UCSF

ZINC37820588

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) -0.50 -0.19 -38.54 5 7 1 110 300.379 7
Hi High (pH 8-9.5) -0.50 -1.01 -13.45 4 7 0 108 299.371 7

Activity (Go SEA)

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