UCSF

ZINC41584253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 5.81 14.36 -45.75 2 6 1 81 432.581 14
Hi High (pH 8-9.5) 5.81 14.94 -23.54 1 6 0 84 431.573 14

Activity (Go SEA)

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