UCSF

ZINC43415842

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) 2.92 7.67 -55.32 3 3 1 55 308.877 8
Lo Low (pH 4.5-6) 2.92 8.94 -139.2 4 3 2 56 309.885 8

Activity (Go SEA)

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