UCSF

ZINC20070576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.38 5.47 -120.73 3 4 2 40 254.374 8
Hi High (pH 8-9.5) 1.38 1.85 -5.05 1 4 0 34 252.358 8
Mid Mid (pH 6-8) 1.38 3.29 -37.07 2 4 1 38 253.366 8
Mid Mid (pH 6-8) 1.38 3.98 -35.84 2 4 1 35 253.366 8

Activity (Go SEA)

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