UCSF

ZINC66080174

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 20 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) 2.43 2.81 -50.09 1 5 -1 87 277.296 2
Hi High (pH 8-9.5) 2.43 3.61 -123.41 0 5 -2 89 276.288 2
Mid Mid (pH 6-8) 2.43 3.64 -11.49 2 5 0 84 278.304 2
Mid Mid (pH 6-8) 2.43 4.37 -45.52 1 5 -1 87 277.296 2

Activity (Go SEA)

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