UCSF

ZINC40488031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.40 2.44 -13.59 0 6 0 53 229.28 3
Lo Low (pH 4.5-6) -0.40 4.58 -48.49 1 6 1 54 230.288 3

Activity (Go SEA)

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