UCSF

ZINC19685532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) -0.14 -0.84 -54 4 5 1 85 259.351 5
Hi High (pH 8-9.5) -0.14 -1.43 -10.06 3 5 0 84 258.343 5

Activity (Go SEA)

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