UCSF

ZINC37818014

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.12 -1.29 -40.78 6 7 1 120 273.357 9
Hi High (pH 8-9.5) 0.12 -1.61 -13.1 5 7 0 119 272.349 9

Activity (Go SEA)

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