UCSF

ZINC23066658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.61 6.5 -101.06 4 4 2 45 293.455 7
Hi High (pH 8-9.5) 0.61 4.19 -42.86 3 4 1 43 292.447 7
Hi High (pH 8-9.5) 0.61 3.36 -4.05 2 4 0 42 291.439 7
Mid Mid (pH 6-8) 0.61 5.75 -30.28 3 4 1 43 292.447 7

Activity (Go SEA)

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