UCSF

ZINC19262364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 1.05 7.23 -104.83 4 3 2 35 277.456 5
Hi High (pH 8-9.5) 1.05 4.86 -44.11 3 3 1 34 276.448 5
Hi High (pH 8-9.5) 1.05 4.6 -2.14 2 3 0 32 275.44 5
Mid Mid (pH 6-8) 1.05 6.54 -35.18 3 3 1 34 276.448 5

Activity (Go SEA)

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