UCSF

ZINC43405726

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.15 1.15 -40.66 5 6 1 94 277.348 4
Hi High (pH 8-9.5) 0.15 -0.31 -10.18 4 6 0 89 276.34 4
Mid Mid (pH 6-8) 0.15 1.43 -91.48 6 6 2 95 278.356 4

Activity (Go SEA)

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