UCSF

ZINC27117828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 25 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) 2.85 5.69 -37.97 2 6 1 55 348.467 6
Hi High (pH 8-9.5) 2.85 3.47 -10.96 1 6 0 54 347.459 6

Activity (Go SEA)

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