UCSF

ZINC22892343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 1.86 5.56 -106.77 4 5 2 53 387.597 6
Hi High (pH 8-9.5) 1.86 4.14 -49.45 3 5 1 48 386.589 6

Activity (Go SEA)

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