UCSF

ZINC19677183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) -0.43 0.55 -55.16 3 6 1 85 278.398 5
Hi High (pH 8-9.5) -0.43 0.21 -15.79 2 6 0 84 277.39 5

Activity (Go SEA)

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