UCSF

ZINC37988024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 2.69 6.25 -38.78 2 2 1 16 269.237 4
Hi High (pH 8-9.5) 2.69 3.96 -1.69 1 2 0 15 268.229 4

Activity (Go SEA)

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