UCSF

ZINC33591899

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 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) 2.15 7.59 -57.8 0 5 -1 71 296.281 3
Lo Low (pH 4.5-6) 2.15 8.03 -51.48 1 5 0 72 297.289 3

Activity (Go SEA)

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