UCSF

ZINC19881689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) 2.69 5.67 -37.74 2 2 1 26 214.716 5
Hi High (pH 8-9.5) 2.69 4.32 -3.69 1 2 0 21 213.708 5

Activity (Go SEA)

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