UCSF

ZINC19388892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) 0.08 3.74 -36.13 3 4 1 43 276.404 3
Hi High (pH 8-9.5) 0.08 1.92 -47.52 3 4 1 43 276.404 3
Hi High (pH 8-9.5) 0.08 1.35 -3.67 2 4 0 42 275.396 3
Mid Mid (pH 6-8) 0.08 3.74 -34.19 3 4 1 43 276.404 3

Activity (Go SEA)

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