UCSF

ZINC51880679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 19 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) 3.03 8.05 -40.91 2 4 1 46 282.433 5
Hi High (pH 8-9.5) 3.03 5.98 -13.19 1 4 0 45 281.425 5
Mid Mid (pH 6-8) 2.85 7.44 -36.91 1 4 0 53 281.425 5

Activity (Go SEA)

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