UCSF

ZINC33039589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 27 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) 1.73 5.5 -30.47 2 10 0 124 390.787 4
Hi High (pH 8-9.5) 1.73 6.29 -48.22 1 10 -1 126 389.779 4

Activity (Go SEA)

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