UCSF

ZINC41515021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.13 7.92 -40.95 2 8 1 89 440.52 9
Hi High (pH 8-9.5) 4.13 5.65 -12.9 1 8 0 88 439.512 9
Hi High (pH 8-9.5) 4.13 6.42 -45.31 0 8 -1 91 438.504 9
Hi High (pH 8-9.5) 4.13 8.68 -49.54 1 8 0 92 439.512 9

Activity (Go SEA)

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