UCSF

ZINC19771942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 18 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) 1.63 2.87 -12.28 2 5 0 78 238.25 2
Lo Low (pH 4.5-6) 1.63 3.45 -32.65 3 5 1 79 239.258 2

Activity (Go SEA)

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