UCSF

ZINC33685927

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 24 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) 1.33 7.7 -49.38 2 7 1 80 351.452 7
Hi High (pH 8-9.5) 1.33 5.18 -24.65 1 7 0 79 350.444 7

Activity (Go SEA)

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