UCSF

ZINC19976939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 15 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) -0.94 -0.68 -37.45 3 5 1 55 216.305 5
Hi High (pH 8-9.5) -0.94 -1.59 -37.87 3 5 1 58 216.305 5
Hi High (pH 8-9.5) -0.94 -2.62 -8.02 2 5 0 54 215.297 5
Lo Low (pH 4.5-6) -0.94 0.71 -108.14 4 5 2 59 217.313 5

Activity (Go SEA)

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