UCSF

ZINC39266562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 34 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) 2.44 11.4 -49.12 1 7 1 58 463.602 6
Hi High (pH 8-9.5) 2.44 9.02 -16.58 0 7 0 56 462.594 6
Mid Mid (pH 6-8) 2.44 11.45 -51.93 1 7 1 58 463.602 6

Activity (Go SEA)

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