UCSF

ZINC01537126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.74 17.54 -216.48 0 9 -3 155 497.483 9
Mid Mid (pH 6-8) 4.74 1.31 -190.87 1 9 -2 152 498.491 9
Mid Mid (pH 6-8) 4.74 17.78 -185.58 1 9 -2 157 498.491 9

Activity (Go SEA)

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