UCSF

ZINC33713561

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 4.67 10.09 -15.49 1 8 0 89 519.623 9
Lo Low (pH 4.5-6) 1.00 11.08 -43.81 2 8 1 89 520.631 10

Activity (Go SEA)

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