UCSF

ZINC09043966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 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) 5.10 11.15 -57.74 0 7 -1 92 485.541 7
Mid Mid (pH 6-8) 5.54 10.74 -13.84 1 7 0 89 486.549 6

Activity (Go SEA)

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