UCSF

ZINC15961963

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 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) 2.17 6.57 -61.91 0 6 -1 83 370.356 5
Lo Low (pH 4.5-6) 2.17 5.81 -16.21 1 6 0 80 371.364 5

Activity (Go SEA)

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