UCSF

ZINC41658789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 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) 1.92 5.48 -8.39 0 5 0 56 320.348 2
Mid Mid (pH 6-8) 1.92 8.45 -44.21 1 5 1 57 321.356 2
Lo Low (pH 4.5-6) 1.92 8.92 -96.45 2 5 2 58 322.364 2

Activity (Go SEA)

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