UCSF

ZINC51590363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 23 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) -0.75 4.91 -47.88 2 6 1 65 324.445 3
Hi High (pH 8-9.5) -0.75 2.74 -17.24 1 6 0 64 323.437 3

Activity (Go SEA)

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