UCSF

ZINC08771164

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 26 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) 1.92 2.79 -61.36 2 6 -1 101 372.784 5
Lo Low (pH 4.5-6) 1.92 1.96 -16.84 3 6 0 98 373.792 5

Activity (Go SEA)

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