UCSF

ZINC31959814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.46 5.28 -54.37 4 4 1 70 294.375 4
Hi High (pH 8-9.5) 2.27 3.41 -45.17 2 4 -1 74 292.359 4
Mid Mid (pH 6-8) 2.46 4.81 -16.06 3 4 0 68 293.367 4
Mid Mid (pH 6-8) 2.28 4.12 -42.7 3 4 0 76 293.367 4

Activity (Go SEA)

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