UCSF

ZINC37049470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) -1.09 -1.2 -105.57 6 5 2 78 230.356 6
Hi High (pH 8-9.5) -1.09 -3.33 -7.7 4 5 0 76 228.34 6
Mid Mid (pH 6-8) -1.09 -0.76 -98.79 6 5 2 78 230.356 6
Mid Mid (pH 6-8) -1.09 -2.96 -50.33 5 5 1 77 229.348 6

Activity (Go SEA)

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