UCSF

ZINC51548710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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) 1.01 4.41 -93.15 3 4 2 43 225.336 7
Hi High (pH 8-9.5) 1.01 1.94 -35.82 2 4 1 42 224.328 7
Hi High (pH 8-9.5) 1.01 0.56 -5.39 1 4 0 37 223.32 7
Hi High (pH 8-9.5) 1.01 3.03 -32.18 2 4 1 39 224.328 7

Activity (Go SEA)

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