UCSF

ZINC51340893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 21 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) 2.33 6 -41.46 3 5 1 64 289.403 6
Hi High (pH 8-9.5) 2.33 4.77 -10.26 2 5 0 59 288.395 6
Mid Mid (pH 6-8) 2.33 6.49 -84.44 4 5 2 65 290.411 6

Activity (Go SEA)

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