UCSF

ZINC06630476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 26 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) 2.99 9.31 -12.47 0 6 0 73 350.374 7
Lo Low (pH 4.5-6) 2.99 9.76 -45.67 1 6 1 74 351.382 7

Activity (Go SEA)

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