UCSF

ZINC26319448

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 26 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) 2.02 0.61 -46.11 0 9 -1 121 413.482 6
Lo Low (pH 4.5-6) 2.02 0.54 -18.01 1 9 0 119 414.49 6

Activity (Go SEA)

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