UCSF

ZINC48057488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.09 8.26 -52.2 2 5 1 67 341.431 10
Hi High (pH 8-9.5) 3.09 5.86 -11.49 1 5 0 66 340.423 10

Activity (Go SEA)

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