UCSF

ZINC41643642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 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) 1.67 6.65 -14.99 1 7 0 94 331.353 4
Hi High (pH 8-9.5) 1.74 5.63 -45.83 0 7 -1 101 330.345 4

Activity (Go SEA)

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