UCSF

ZINC36171000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.45 6.14 -102.35 4 4 2 45 293.455 6
Hi High (pH 8-9.5) 0.45 3.92 -43.78 3 4 1 43 292.447 6
Hi High (pH 8-9.5) 0.45 3.5 -3.41 2 4 0 42 291.439 6
Mid Mid (pH 6-8) 0.45 5.33 -38.7 3 4 1 43 292.447 6

Activity (Go SEA)

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