UCSF

ZINC60619953

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 25 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) 1.34 3.1 -47.33 1 9 -1 135 364.359 5
Hi High (pH 8-9.5) 1.34 4.05 -95.79 0 9 -2 137 363.351 5
Mid Mid (pH 6-8) 1.34 3.04 -23.92 2 9 0 133 365.367 5
Mid Mid (pH 6-8) 1.34 4.03 -52.65 1 9 -1 135 364.359 5

Activity (Go SEA)

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