UCSF

ZINC36720974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) -0.38 1.77 -93.96 6 5 2 89 236.319 3
Hi High (pH 8-9.5) -0.38 1.93 -32.82 5 5 1 87 235.311 3
Hi High (pH 8-9.5) -0.38 1.43 -36.73 5 5 1 88 235.311 3

Activity (Go SEA)

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