UCSF

ZINC37026793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.61 0.72 -55.03 6 5 1 100 250.322 5
Hi High (pH 8-9.5) 0.61 0.42 -11 5 5 0 98 249.314 5

Activity (Go SEA)

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