UCSF

ZINC33882136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 31 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) -2.56 7.76 -78.27 5 9 2 118 426.521 6
Hi High (pH 8-9.5) -2.49 6.75 -47.47 4 9 1 124 425.513 6

Activity (Go SEA)

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