UCSF

ZINC33823866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 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) 2.54 6.49 -40.94 2 6 1 59 346.451 7
Hi High (pH 8-9.5) 2.54 4.32 -11.24 1 6 0 58 345.443 7

Activity (Go SEA)

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