UCSF

ZINC16212882

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 31 No

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) 1.83 5.92 -47.78 2 8 -1 122 443.863 9
Mid Mid (pH 6-8) 2.28 4.43 -32.97 3 8 0 119 444.871 8
Mid Mid (pH 6-8) 1.25 5.4 -24.57 2 8 0 116 444.871 9

Activity (Go SEA)

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