UCSF

ZINC55053988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 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) 2.54 9.88 -39.4 1 4 1 38 293.431 6
Hi High (pH 8-9.5) 2.54 7.6 -8.89 0 4 0 37 292.423 6

Activity (Go SEA)

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