UCSF

ZINC33750294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 27 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) 4.00 8.31 -17.69 2 6 0 84 400.529 6
Hi High (pH 8-9.5) 4.19 7.24 -45.55 1 6 -1 90 399.521 6

Activity (Go SEA)

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