UCSF

ZINC35269802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 35 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) 3.21 11.3 -64.42 0 7 -1 92 469.517 10
Lo Low (pH 4.5-6) 3.21 10.54 -18.74 1 7 0 89 470.525 10

Activity (Go SEA)

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