UCSF

ZINC09212451

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 36 No

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) 7.43 16.43 -51.37 0 4 -1 66 497.74 3
Lo Low (pH 4.5-6) 7.43 14.47 -8.13 1 4 0 64 498.748 3

Activity (Go SEA)

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