UCSF

ZINC39301100

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 3.11 9.33 -15.07 2 8 0 83 424.549 8
Mid Mid (pH 6-8) 3.11 11.62 -51.33 3 8 1 84 425.557 8
Lo Low (pH 4.5-6) 3.11 12.01 -85 4 8 2 85 426.565 8

Activity (Go SEA)

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