UCSF

ZINC17112297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 32 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) 2.40 5.16 -65.36 1 8 -1 108 440.472 9
Lo Low (pH 4.5-6) 2.40 4.34 -20.95 2 8 0 106 441.48 9

Activity (Go SEA)

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