UCSF

ZINC44166859

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 35 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) 3.25 9.05 -19.59 1 9 0 106 476.533 7
Lo Low (pH 4.5-6) 3.25 9.47 -52.71 2 9 1 107 477.541 7

Activity (Go SEA)

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