UCSF

ZINC34839904

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 1.67 8.51 -25.81 1 11 0 121 531.635 11
Hi High (pH 8-9.5) 1.49 7.39 -56.4 0 11 -1 128 530.627 11

Activity (Go SEA)

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