UCSF

ZINC40511556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 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) 4.24 8.63 -50.98 1 5 -1 79 351.463 12
Lo Low (pH 4.5-6) 4.24 6.65 -8.29 2 5 0 76 352.471 12

Activity (Go SEA)

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