UCSF

ZINC22223355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.78 5.94 -50.76 4 5 1 72 293.416 6
Hi High (pH 8-9.5) 1.96 4.89 -48.87 3 5 0 79 292.408 6

Activity (Go SEA)

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