UCSF

ZINC43627966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 14 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) 0.86 3.47 -8.22 1 5 0 65 203.238 7
Lo Low (pH 4.5-6) 0.86 4.5 -36.29 2 5 1 69 204.246 7

Activity (Go SEA)

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