UCSF

ZINC31962278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) -0.41 2.26 -92.95 5 6 2 77 265.361 3
Hi High (pH 8-9.5) -0.41 -0.54 -16.25 3 6 0 74 263.345 3
Mid Mid (pH 6-8) -0.41 1.94 -49.11 4 6 1 76 264.353 3
Mid Mid (pH 6-8) -0.41 -0.22 -50.77 4 6 1 76 264.353 3

Activity (Go SEA)

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