UCSF

ZINC43422890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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 7.83 -113.07 1 8 -2 136 297.311 9
Lo Low (pH 4.5-6) -1.31 5.93 -56.82 2 8 -1 134 298.319 9

Activity (Go SEA)

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