UCSF

ZINC51131803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 22 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) -0.29 0.96 -22.34 3 7 0 108 302.334 5
Lo Low (pH 4.5-6) -0.29 3.22 -64.29 4 7 1 110 303.342 5

Activity (Go SEA)

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