UCSF

ZINC63582959

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2011 18 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) 0.20 3.57 -35.07 3 5 1 68 256.37 4
Hi High (pH 8-9.5) 0.20 1.36 -11.44 2 5 0 67 255.362 4

Activity (Go SEA)

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