UCSF

ZINC26983886

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 34 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) -1.95 4.8 -124.05 5 13 -2 216 470.421 9
Lo Low (pH 4.5-6) -1.95 5.29 -121.19 6 13 -1 217 471.429 9

Activity (Go SEA)

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