UCSF

ZINC51783338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 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) -0.16 1.15 -110.88 4 5 2 59 217.313 6
Hi High (pH 8-9.5) -0.16 -0.3 -35.66 3 5 1 55 216.305 6
Hi High (pH 8-9.5) -0.16 -2.5 -7.35 2 5 0 54 215.297 6
Mid Mid (pH 6-8) -0.16 -1.05 -44.31 3 5 1 58 216.305 6

Activity (Go SEA)

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