UCSF

ZINC43501405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) -0.27 0.94 -27.74 3 3 1 28 184.307 1
Hi High (pH 8-9.5) -0.27 -0.02 -36.04 3 3 1 32 184.307 1
Hi High (pH 8-9.5) -0.27 0.08 -37.83 3 3 1 32 184.307 1

Activity (Go SEA)

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