UCSF

ZINC02625795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 32 No

Download: MOL2 SDF SMILES Flexibase

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) 3.29 8.22 -81.77 3 8 0 92 437.52 6
Mid Mid (pH 6-8) 3.29 7.96 -15.09 2 8 0 91 436.512 6

Activity (Go SEA)

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