UCSF

ZINC05570807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 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) 7.40 15.51 -9.44 0 1 0 13 347.461 4
Lo Low (pH 4.5-6) 7.40 15.72 -30.74 1 1 1 14 348.469 4

Activity (Go SEA)

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