UCSF

ZINC31613881

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 18 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) -0.39 -2 -14.27 2 8 0 115 276.27 6
Hi High (pH 8-9.5) -0.39 -2.5 -39.37 1 8 -1 117 275.262 6

Activity (Go SEA)

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