UCSF

ZINC33771983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 30 No

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) -0.25 2.42 -57.82 4 8 -1 139 409.418 4
Hi High (pH 8-9.5) -0.06 -0.12 -125.78 3 8 -2 145 408.41 4
Hi High (pH 8-9.5) -0.25 2.67 -46.26 5 8 0 143 410.426 4
Mid Mid (pH 6-8) -0.06 1.1 -87.7 4 8 -1 150 409.418 4

Activity (Go SEA)

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