UCSF

ZINC20680795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 20 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) 0.98 -0.43 -48.05 5 6 1 106 300.404 6
Hi High (pH 8-9.5) 0.98 -1.69 -16.5 4 6 0 101 299.396 6

Activity (Go SEA)

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