UCSF

ZINC43395304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.31 8.09 -47.55 0 5 -1 80 258.301 3
Lo Low (pH 4.5-6) 1.31 6.1 -8.91 1 5 0 77 259.309 3

Activity (Go SEA)

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