UCSF

ZINC43470046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 31 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) 3.99 5.94 -51.46 3 5 -1 101 435.625 6
Lo Low (pH 4.5-6) 3.99 3.98 -9.06 4 5 0 98 436.633 6

Activity (Go SEA)

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