UCSF

ZINC41588158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.08 8.93 -9.28 0 6 0 55 476.617 6
Mid Mid (pH 6-8) 5.08 11.2 -46.7 1 6 1 56 477.625 6
Mid Mid (pH 6-8) 5.08 11.78 -51.92 1 6 1 56 477.625 6
Lo Low (pH 4.5-6) 5.08 14.06 -125.46 2 6 2 58 478.633 6

Activity (Go SEA)

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