UCSF

ZINC03878662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 6.12 0.49 -9.59 0 2 0 25 332.406 2
Lo Low (pH 4.5-6) 6.12 0.71 -81.73 2 2 2 28 334.422 2
Lo Low (pH 4.5-6) 6.12 0.62 -28.16 1 2 1 27 333.414 2

Activity (Go SEA)

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