UCSF

ZINC31959649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 0.18 1.77 -68.67 5 7 1 108 321.382 6
Hi High (pH 8-9.5) 0.74 0.64 -24.19 4 7 0 110 320.374 5
Mid Mid (pH 6-8) 0.00 0.7 -56.65 4 7 0 114 320.374 6

Activity (Go SEA)

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