UCSF

ZINC19833504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) -0.45 3.89 -62.39 3 4 1 72 218.28 4
Hi High (pH 8-9.5) -0.45 3.5 -13.18 2 4 0 70 217.272 4

Activity (Go SEA)

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