UCSF

ZINC33592109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 39 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) 4.38 13.05 -43.45 0 8 -1 101 529.613 13
Lo Low (pH 4.5-6) 4.38 11.92 -21.73 1 8 0 98 530.621 13

Activity (Go SEA)

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