UCSF

ZINC69981000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 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) 1.10 7.77 -81.49 3 6 2 56 333.48 5
Hi High (pH 8-9.5) 1.10 5.61 -38.65 2 6 1 55 332.472 5

Activity (Go SEA)

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