UCSF

ZINC43435140

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 2.13 4.97 -6.94 1 4 0 62 212.293 7
Lo Low (pH 4.5-6) 2.13 6.06 -49.22 2 4 1 67 213.301 7

Activity (Go SEA)

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