UCSF

ZINC13208001

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 28 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) 1.78 6.89 -57.96 0 9 -1 129 385.352 7
Lo Low (pH 4.5-6) 1.78 6.07 -16.66 1 9 0 126 386.36 7

Activity (Go SEA)

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