UCSF

ZINC33874460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 38 No

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) 1.49 9.38 -34.56 5 9 0 149 518.614 9
Hi High (pH 8-9.5) 1.49 8.29 -49.95 4 9 -1 145 517.606 9

Activity (Go SEA)

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