UCSF

ZINC41586523

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) 3.83 9.96 -50.03 2 8 1 100 452.483 6
Hi High (pH 8-9.5) 3.83 8.28 -42 0 8 -1 101 450.467 6
Mid Mid (pH 6-8) 3.83 7.7 -12.31 1 8 0 98 451.475 6
Mid Mid (pH 6-8) 3.83 10.54 -31.24 1 8 0 102 451.475 6

Activity (Go SEA)

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