UCSF

ZINC19866117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 3.08 6.76 -13.63 0 6 0 73 376.46 6
Lo Low (pH 4.5-6) 3.08 8.58 -61.57 1 6 1 74 377.468 6

Activity (Go SEA)

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