UCSF

ZINC22784637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 3.12 7.7 -40.03 2 5 1 50 348.854 5
Hi High (pH 8-9.5) 3.12 5.06 -12.58 1 5 0 49 347.846 5

Activity (Go SEA)

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