UCSF

ZINC20524008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 Yes

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) 1.06 5.1 -35.32 2 3 1 29 232.351 3
Lo Low (pH 4.5-6) 1.06 6.41 -110.98 3 3 2 34 233.359 3
Lo Low (pH 4.5-6) 1.06 5.57 -75.32 3 3 2 31 233.359 3

Activity (Go SEA)

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