UCSF

ZINC33670924

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.51 6.67 -55.33 4 4 1 70 350.467 4
Hi High (pH 8-9.5) 1.51 6.36 -9.44 3 4 0 68 349.459 4

Activity (Go SEA)

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