UCSF

ZINC33678531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 4.86 10.63 -10.96 1 7 0 80 510.015 7
Lo Low (pH 4.5-6) 1.39 11.66 -38.07 2 7 1 80 511.023 8

Activity (Go SEA)

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