UCSF

ZINC51555601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) -0.30 5.64 -43.09 1 6 1 54 298.407 5
Hi High (pH 8-9.5) -0.30 3.54 -14.19 0 6 0 53 297.399 5

Activity (Go SEA)

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