UCSF

ZINC40175553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 2.48 9.65 -4.46 0 4 0 42 308.328 6
Lo Low (pH 4.5-6) 2.48 10.07 -28.94 1 4 1 44 309.336 6

Activity (Go SEA)

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