UCSF

ZINC39231000

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 No

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) 4.58 12.82 -18.43 0 5 0 41 422.532 5
Mid Mid (pH 6-8) 4.58 13.16 -35.25 1 5 1 42 423.54 5
Mid Mid (pH 6-8) 4.58 15.01 -57.68 1 5 1 42 423.54 5
Lo Low (pH 4.5-6) 4.58 15.36 -110.08 2 5 2 43 424.548 5

Activity (Go SEA)

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