UCSF

ZINC42430748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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 2.73 -86.46 4 6 1 86 251.31 5
Hi High (pH 8-9.5) -0.20 0.91 -47.4 2 6 -1 80 249.294 5
Mid Mid (pH 6-8) -0.20 2.27 -78.02 3 6 0 85 250.302 5

Activity (Go SEA)

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