UCSF

ZINC37876819

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 1.22 1.58 -40.23 3 5 1 55 255.338 7
Hi High (pH 8-9.5) 1.22 -0.95 -6.69 2 5 0 54 254.33 7

Activity (Go SEA)

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