UCSF

ZINC41651652

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.73 9.48 -8.55 0 5 0 46 404.51 3
Mid Mid (pH 6-8) 4.73 12.42 -44.6 1 5 1 47 405.518 3
Lo Low (pH 4.5-6) 4.73 13.19 -106.1 2 5 0 48 406.526 3

Activity (Go SEA)

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