UCSF

ZINC17162704

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 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 6.49 -65.23 0 7 -1 88 410.446 8
Lo Low (pH 4.5-6) 2.80 5.67 -15.96 1 7 0 85 411.454 8

Activity (Go SEA)

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