UCSF

ZINC35002695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 1.91 5.59 -61.54 0 9 -1 107 454.455 8
Lo Low (pH 4.5-6) 1.91 4.84 -14.76 1 9 0 104 455.463 8

Activity (Go SEA)

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