UCSF

ZINC27315656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 44 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) 6.07 12.53 -61.71 1 7 -1 116 633.856 7
Lo Low (pH 4.5-6) 6.07 12.28 -26.46 2 7 0 113 634.864 7

Activity (Go SEA)

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