UCSF

ZINC24894100

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 19 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) 0.39 5.62 -121.9 3 5 2 54 265.357 3
Hi High (pH 8-9.5) 0.39 3.28 -38.79 2 5 1 53 264.349 3
Mid Mid (pH 6-8) 0.39 4.32 -44.73 2 5 1 50 264.349 3
Mid Mid (pH 6-8) 0.39 2 -10.03 1 5 0 49 263.341 3

Activity (Go SEA)

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