UCSF

ZINC33515727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 35 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) 2.80 11.15 -59.91 2 9 0 120 485.581 12
Lo Low (pH 4.5-6) 2.80 10.02 -57.71 3 9 1 117 486.589 12

Activity (Go SEA)

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