UCSF

ZINC35293095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 4.58 12.47 -45.84 2 2 1 22 345.388 7
Hi High (pH 8-9.5) 4.58 11.11 -6.92 1 2 0 17 344.38 7

Activity (Go SEA)

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