UCSF

ZINC37872464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.61 3.64 -37.89 3 3 1 37 209.313 5
Hi High (pH 8-9.5) 1.61 1.14 -4.01 2 3 0 35 208.305 5

Activity (Go SEA)

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