UCSF

ZINC51543261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.17 5.79 -41.19 2 3 1 39 283.273 5
Mid Mid (pH 6-8) 3.17 4.33 -6.83 1 3 0 34 282.265 5

Activity (Go SEA)

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