UCSF

ZINC31975707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 2.12 5.38 -53.12 3 5 1 63 282.323 2
Hi High (pH 8-9.5) 2.12 5.05 -10.92 2 5 0 62 281.315 2
Mid Mid (pH 6-8) 2.12 5.79 -103.73 4 5 2 65 283.331 2

Activity (Go SEA)

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