UCSF

ZINC70513250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 Yes

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) 2.77 6.76 -28.94 3 3 1 37 277.432 9
Lo Low (pH 4.5-6) 2.77 6.96 -106.25 4 3 2 41 278.44 9

Activity (Go SEA)

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