UCSF

ZINC41584766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 3.45 11.86 -59.6 2 6 1 77 441.507 3
Hi High (pH 8-9.5) 3.45 10.31 -45.1 0 6 -1 79 439.491 3
Mid Mid (pH 6-8) 3.45 9.72 -21.32 1 6 0 76 440.499 3
Mid Mid (pH 6-8) 3.45 12.44 -34.26 1 6 0 80 440.499 3

Activity (Go SEA)

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