UCSF

ZINC41669098

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

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) 4.57 7.77 -11.25 0 6 0 65 468.431 5
Mid Mid (pH 6-8) 4.57 8.52 -42.37 1 6 1 66 469.439 5

Activity (Go SEA)

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