UCSF

ZINC41585696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.34 11.6 -52.46 2 7 1 77 501.603 7
Hi High (pH 8-9.5) 5.34 10.17 -44.63 0 7 -1 78 499.587 7
Mid Mid (pH 6-8) 5.34 12.37 -33.36 1 7 0 79 500.595 7
Mid Mid (pH 6-8) 5.34 9.4 -11.24 1 7 0 75 500.595 7

Activity (Go SEA)

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