UCSF

ZINC18099996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 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) 2.01 7.48 -14.75 1 5 0 66 297.358 3
Hi High (pH 8-9.5) 2.47 4.77 -50.07 0 5 -1 69 296.35 3

Activity (Go SEA)

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