UCSF

ZINC41585717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.78 10.02 -47.39 2 7 1 80 458.538 5
Mid Mid (pH 6-8) 3.78 7.8 -12.38 1 7 0 79 457.53 5
Mid Mid (pH 6-8) 3.78 8.57 -47.34 0 7 -1 82 456.522 5
Mid Mid (pH 6-8) 3.78 10.78 -30.79 1 7 0 83 457.53 5

Activity (Go SEA)

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