UCSF

ZINC37854475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.87 1.5 -48.99 3 4 1 49 269.34 6
Hi High (pH 8-9.5) 0.87 0.14 -6.47 2 4 0 45 268.332 6
Mid Mid (pH 6-8) 0.87 2.03 -32.37 2 4 0 52 268.332 6
Mid Mid (pH 6-8) 0.87 3.76 -115.76 4 4 2 51 270.348 6

Activity (Go SEA)

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