UCSF

ZINC39804378

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) -3.35 -0.08 -84.55 5 8 0 137 315.37 6
Hi High (pH 8-9.5) -3.35 -0.18 -55.74 4 8 -1 136 314.362 6

Activity (Go SEA)

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