UCSF

ZINC58163607

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 20 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) -0.44 5.47 -42.21 1 6 1 54 284.38 3
Hi High (pH 8-9.5) -0.44 3.39 -8.82 0 6 0 53 283.372 3

Activity (Go SEA)

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