UCSF

ZINC26404352

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 43 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) 6.59 14.48 -54.09 0 11 -1 132 573.589 12
Lo Low (pH 4.5-6) 6.59 15.49 -55.08 1 11 0 134 574.597 12

Activity (Go SEA)

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