UCSF

ZINC31958683

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 2.81 9.54 -54.43 1 6 -1 87 336.371 6
Mid Mid (pH 6-8) 2.81 9.94 -61.44 2 6 0 88 337.379 6
Lo Low (pH 4.5-6) 2.81 8.82 -37.08 3 6 1 85 338.387 6

Activity (Go SEA)

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