UCSF

ZINC26653579

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 44 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) 4.88 11.63 -85.5 4 10 0 139 595.748 11
Lo Low (pH 4.5-6) 4.88 11.76 -63.01 5 10 1 141 596.756 11

Activity (Go SEA)

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