UCSF

ZINC37039703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.32 2.45 -89.12 4 4 2 45 229.368 4
Hi High (pH 8-9.5) -0.32 2.05 -31.07 3 4 1 43 228.36 4

Activity (Go SEA)

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