UCSF

ZINC42456003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.17 2.35 -105.56 5 4 2 61 203.33 6
Hi High (pH 8-9.5) 0.17 1.97 -36.78 4 4 1 60 202.322 6
Hi High (pH 8-9.5) 0.17 0.38 -47.72 4 4 1 60 202.322 6

Activity (Go SEA)

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